smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COCCNS(=O)(=O)NCC[C@H](C)N	161297480	PZTDMWZHNXYHCA-ZETCQYMHSA-N	225.314	-1.206	70	10	BAIE	
O=C1C[C@@H](C(=O)N2CC(CO)C2)NC(=O)N1	217385546	MIZCAKQCJGMABH-LURJTMIESA-N	227.220	-1.965	70	10	BAIE	
O=S1(=O)C[C@H]2CN(S(=O)(=O)F)C[C@@H]21	1887084338	POXMQZANKBWGOR-UHNVWZDZSA-N	229.254	-1.071	70	10	BAIE	
C[C@@H](O)CNCCNS(=O)(=O)F	2241919411	VAGJXAZJVMTTDA-RXMQYKEDSA-N	200.235	-1.239	70	10	BAIE	
NS(=O)(=O)CCNS(=O)(=O)NC1CC1	161019360	KTRVDJHDKHLXJT-UHFFFAOYSA-N	243.310	-2.139	70	10	BAIE	
CCCNS(=O)(=O)NNC(N)=S	161152945	QAPJQNDGWVIAKD-UHFFFAOYSA-N	212.300	-1.431	70	10	BAIE	
CNC12CN3CCN(CC(C)(C3)[C@H]1O)C2	217375040	CZHQQVRHPFCFEA-KPPDAEKUSA-N	211.309	-1.043	70	10	BAIE	
C[C@H](O)[C@H](N)CNS(=O)(=O)NC1CC1	160887968	UPGJKUHJWIAVNA-CAHLUQPWSA-N	223.298	-1.719	70	10	BAIE	
COC[C@@H](N)C(=O)N1C[C@H](O)C[C@@H]1CN(C)C	159993518	OLXCJGGCNHYWDF-OPRDCNLKSA-N	245.323	-1.517	70	10	BAIE	
C[C@H](CN)S(=O)(=O)Nc1ccc(=O)[nH]n1	161071972	FBFNEDMNRBKRBL-RXMQYKEDSA-N	232.265	-1.141	70	10	BAIE	
N[C@@H]1C[C@H](O)[C@@H](CNS(=O)(=O)F)C1	2241914670	HUNDIZSRQQZFNH-SRQIZXRXSA-N	212.246	-1.112	70	10	BAIE	
NC(=O)C1(N)CCN(S(=O)(=O)F)CC1	2241918327	HLOZYNRUBSLUBJ-UHFFFAOYSA-N	225.245	-1.521	70	10	BAIE	
CCN(CCCO)[C@@H]1CS(=O)(=O)C[C@@H]1O	160375489	YKRLANAJMGCLJG-BDAKNGLRSA-N	237.321	-1.151	70	10	BAIE	
CNS(=O)(=O)N[C@H]1CNC[C@@H]1OC	160810377	GXMJFPMCYAPLTC-WDSKDSINSA-N	209.271	-1.973	70	10	BAIE	
C[C@@H]1COCCN1CC[C@@H](N)C(N)=O	218590374	KQWRYBLYZBFBBJ-HTQZYQBOSA-N	201.270	-1.090	70	10	BAIE	
O=S(=O)(F)NC[C@@H]1CN2CCN1CC2	1955505108	REOXSMYPPFDBQD-SSDOTTSWSA-N	223.273	-1.210	70	10	BAIE	
O=S(=O)(F)N(C1CNC1)C1COC1	2241920201	GWAQMXNJJHXFQF-UHFFFAOYSA-N	210.230	-1.127	70	10	BAIE	
CNS(=O)(=O)Nc1c(C(N)=S)cnn1C	160593718	GMXMOFSQESXBII-UHFFFAOYSA-N	249.321	-1.070	70	10	BAIE	
NC(=O)CONC1CCS(=O)(=O)CC1	160307599	CSUYLHCCHOXXBV-UHFFFAOYSA-N	222.266	-1.430	70	10	BAIE	
CC(C)CNS(=O)(=O)NC[C@](C)(O)CO	161260175	XIRXONCKGKZZSM-QMMMGPOBSA-N	240.325	-1.190	70	10	BAIE	
CCNS(=O)(=O)N(C)C[C@H](N)COC	161045581	QZPOGDVAKYJWND-ZETCQYMHSA-N	225.314	-1.254	70	10	BAIE	
CN(CC(=N)N)S(=O)(=O)NC1CC1	161118818	RNIQAVRAPAPMLB-UHFFFAOYSA-N	206.271	-1.149	70	10	BAIE	
CN1CCNC[C@@H]1CNS(=O)(=O)F	2241921300	UXRJQNLYJLJDFJ-ZCFIWIBFSA-N	211.262	-1.306	70	10	BAIE	
COCCNS(=O)(=O)N[C@@H](C)CO	161241838	JUUWLUHWSPKWAI-LURJTMIESA-N	212.271	-1.562	70	10	BAIE	
O=C(Cn1c(=O)cc[nH]c1=O)N1CCOCC1	218674280	FHQBLHPUNVIUPK-UHFFFAOYSA-N	239.231	-1.605	70	10	BAIE	
Cc1nc(=O)n(S(=O)(=O)Cl)c(=O)o1	104546101	KJUPYIVZIUSACK-UHFFFAOYSA-N	226.597	-1.163	70	10	BAIE	
O=C(CO)N1CCN(S(=O)(=O)F)CC1	1974001206	OYNSEXYYDDHHOA-UHFFFAOYSA-N	226.229	-1.663	70	10	BAIE	
CN1CC[C@H](NC(=O)[C@@H]2C[C@@H](O)CN2)C1	218759166	YAVLSAZHCDFENC-YIZRAAEISA-N	213.281	-1.471	70	10	BAIE	
CN(C)S(=O)(=O)N1CC(S(=O)(=O)F)C1	1897480740	FBVBRSWQKBATLR-UHFFFAOYSA-N	246.285	-1.224	70	10	BAIE	
NCC1(C(=O)NOCC(N)=O)CCC1	160348289	ZKRKHSCYFKCCOT-UHFFFAOYSA-N	201.226	-1.352	70	10	BAIE	
COCCOCCCNC[C@H](O)CO	218771838	ACAVUGYZZIGMRO-VIFPVBQESA-N	207.270	-1.018	70	10	BAIE	
COCCNS(=O)(=O)N(CCO)CCO	161245021	JHGKQQIHJMBSIM-UHFFFAOYSA-N	242.297	-2.246	70	10	BAIE	
CCS(=O)(=O)NC1CN(S(=O)(=O)F)C1	1956364823	ZBWBOKMALQYZHU-UHFFFAOYSA-N	246.285	-1.176	70	10	BAIE	
CC[C@@H](C)[C@H](N)C(=O)NOCC(N)=O	159605808	RAVYVERITGQCRK-VDTYLAMSSA-N	203.242	-1.107	70	10	BAIE	
COCCNS(=O)(=O)NC[C@@H](N)[C@H](C)O	161304114	GLLTYEWNGYTQLC-NKWVEPMBSA-N	241.313	-2.235	70	10	BAIE	
NC(=O)CONC(=O)C[C@@H](N)C1CC1	160351189	MUDWLJGWACRNIY-ZCFIWIBFSA-N	201.226	-1.353	70	10	BAIE	
COCCNS(=O)(=O)NC[C@H](C)C(=N)N	161349584	ZYAKYOUTKQCVRZ-LURJTMIESA-N	238.313	-1.371	70	10	BAIE	
O=C1N[C@H]2CN(C[B-](F)(F)F)C[C@@H]2NC1=O	1957689398	WRXYPRNCKVMGKM-WHFBIAKZSA-N	235.982	-1.328	70	10	BAIE	
CCO[C@@H]1C[C@@H](N)[C@@H]1NS(=O)(=O)NC	160906462	LIXPWUAWHLOFPF-QYNIQEEDSA-N	223.298	-1.455	70	10	BAIE	
O=S(=O)(F)N1CCO[C@@H]2CNC[C@H]21	2241914859	KGJBYIGKXKMUIP-PHDIDXHHSA-N	210.230	-1.127	70	10	BAIE	
O=C(OCCO)N1CCOC[C@H]1CO	159562122	KEJISVUMSPMXEB-SSDOTTSWSA-N	205.210	-1.192	70	10	BAIE	
COCCNS(=O)(=O)NCC1CC(N)C1	161334599	XSXNNMSBEPPFGV-UHFFFAOYSA-N	237.325	-1.206	70	10	BAIE	
COC[C@H](N)C(=O)Nc1ccc(=O)[nH]n1	161102570	RPWGLHFWXRYXRB-YFKPBYRVSA-N	212.209	-1.318	70	10	BAIE	
CCNC(=O)[C@@H](C)NC(=O)[C@H]1C[C@@H](O)CN1	218366190	CVLFCGXWTOBJIF-BWZBUEFSSA-N	229.280	-1.650	70	10	BAIE	
O=S(=O)(F)N[C@]1(CO)CCCNC1	2241914905	KXEDBHCKECCTPN-ZCFIWIBFSA-N	212.246	-1.095	70	10	BAIE	
C[C@@H](CS(C)(=O)=O)NOCC(N)=O	160318206	LSMTZDXUHGLPAU-YFKPBYRVSA-N	210.255	-1.574	70	10	BAIE	
NC(=O)NC(=O)CS(=O)(=O)Cl	104540890	CJLPUFJQSAIVNN-UHFFFAOYSA-N	200.603	-1.250	70	10	BAIE	
CC(C)(C)NC(=O)CNOCC(N)=O	160342790	FRTGOWYVCCKMGD-UHFFFAOYSA-N	203.242	-1.092	70	10	BAIE	
COCCNS(=O)(=O)N[C@H]1CCCNC1	161180492	RWRBSKICKNLMGU-QMMMGPOBSA-N	237.325	-1.191	70	10	BAIE	
N[C@@]1(CO)CCCN(S(=O)(=O)F)C1	2241914988	LYXBKGOBQDPBGG-LURJTMIESA-N	212.246	-1.014	70	10	BAIE	
C[C@](O)(CO)CNS(=O)(=O)NC1CC1	160715849	BNLFMVXYDZBGAQ-SSDOTTSWSA-N	224.282	-1.684	70	10	BAIE	
CC(=O)NCCN1CCO[C@H](CN)C1	159507778	WTRNFAKKAZPXFA-SECBINFHSA-N	201.270	-1.218	70	10	BAIE	
C[C@@H](O)[C@@H](N)CNS(=O)(=O)NC1CC1	160888349	UPGJKUHJWIAVNA-VDTYLAMSSA-N	223.298	-1.719	70	10	BAIE	
O=S1(=O)C[C@H](O)[C@@H](S(=O)(=O)F)C1	675063322	QJVCCHOXGWMXRA-IMJSIDKUSA-N	218.227	-1.556	70	10	BAIE	
CC(=O)N[C@H]1CCN(C[C@H](N)C(N)=O)C1	160291270	KMWQDUMRWMOEGQ-YUMQZZPRSA-N	214.269	-1.991	70	10	BAIE	
C[C@]1(C(=O)NOCC(N)=O)CCNC1	160346848	RHWIMGCMAKBOQR-QMMMGPOBSA-N	201.226	-1.481	70	10	BAIE	
CO[C@@]1(CN2CC(=O)NC(=O)C2)CCOC1	159365621	RGJLXEJFXVNTQK-SNVBAGLBSA-N	228.248	-1.250	70	10	BAIE	
CCNS(=O)(=O)NC[C@@H](N)[C@H](C)O	160888903	TZQBCGZTGWKDKQ-NTSWFWBYSA-N	211.287	-1.862	70	10	BAIE	
CNS(=O)(=O)N(C)C[C@H](N)COC	161045343	ZQQJFRISKLICSE-LURJTMIESA-N	211.287	-1.644	70	10	BAIE	
NC[C@H]1CN(C[C@@H]2CNC(=O)O2)CCO1	159508506	YUUUMNSEESIDIT-YUMQZZPRSA-N	215.253	-1.246	70	10	BAIE	
CNS(=O)(=O)NCCS(=O)(=O)Cl	161153480	DEIPTWWIKPGOFH-UHFFFAOYSA-N	236.702	-1.391	70	10	BAIE	
NC(=O)CONC(=O)[C@@H]1CC[C@H](N)C1	160353034	LCDFHDGTYULBJE-RITPCOANSA-N	201.226	-1.353	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NCCC(N)=O	160061186	FAOIVMGAOZMFHO-ZCFIWIBFSA-N	217.225	-2.132	70	10	BAIE	
COCCNS(=O)(=O)NC1CC(O)C1	161257834	SDFDGDCEQLMNPU-UHFFFAOYSA-N	224.282	-1.420	70	10	BAIE	
CCN(C)C(=O)CNCCS(N)(=O)=O	217938411	ZKNJQFUZZRBWIT-UHFFFAOYSA-N	223.298	-1.657	70	10	BAIE	
CO[C@H]1CNC[C@H]1NS(=O)(=O)NC1CC1	160810919	QORBPSYMTMCUSO-SFYZADRCSA-N	235.309	-1.440	70	10	BAIE	
COCCNS(=O)(=O)NC[C@@H](O)COC	161251920	GUNVMSMTKWRCSU-SSDOTTSWSA-N	242.297	-1.936	70	10	BAIE	
COCCNS(=O)(=O)NC1[C@@H]2CNC[C@@H]12	161290184	SVLUIJVYVADJGB-RNFRBKRXSA-N	235.309	-1.725	70	10	BAIE	
CCN(CCN)S(=O)(=O)NCCOC	161166707	GXJVMFRDFAZADA-UHFFFAOYSA-N	225.314	-1.252	70	10	BAIE	
CC(C)CNS(=O)(=O)NC(CO)CO	161255281	QAHLAZTVCCDLBR-UHFFFAOYSA-N	226.298	-1.580	70	10	BAIE	
COCCNS(=O)(=O)NCc1nnc[nH]1	161278664	XXADDJWWKDVXNS-UHFFFAOYSA-N	235.269	-1.625	70	10	BAIE	
O=S(=O)(F)N[C@@H]1CNCC[C@H]1CO	2241921116	SCDYFQICYRTFER-NTSWFWBYSA-N	212.246	-1.239	70	10	BAIE	
COc1nn(CCS(=O)(=O)F)c(=O)n1C	883953579	ATAIQSHEZDZKRL-UHFFFAOYSA-N	239.228	-1.110	70	10	BAIE	
CC(C)OC[C@@H](O)CNOCC(N)=O	160344735	COFNUPOUBHUFHF-ZETCQYMHSA-N	206.242	-1.221	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)N(CC)CCO	160068651	YSJVKOUSHPPMTQ-ZETCQYMHSA-N	218.253	-1.282	70	10	BAIE	
CC[C@@H](CCO)N[C@H](CN)CC(N)=O	217772888	DJWSCAVTMWGLPG-YUMQZZPRSA-N	203.286	-1.060	70	10	BAIE	
CC(C)NS(=O)(=O)N1CC(=O)NC(=O)C1	160790712	ZGUXCJHJVICMQG-UHFFFAOYSA-N	235.265	-1.812	70	10	BAIE	
O=C1CN(S(=O)(=O)NC2CC2)CC(=O)N1	160791124	NKJIDGCAPFMDOD-UHFFFAOYSA-N	233.249	-2.058	70	10	BAIE	
COCCNS(=O)(=O)NC[C@@H](C)N	161299969	PCCCDXXWPZJSSL-ZCFIWIBFSA-N	211.287	-1.596	70	10	BAIE	
Nc1nc(=O)n([C@@H]2OC[C@@H](CO)O2)cc1F	217501532	VYTQHKAWLSZOFO-SPGJFGJESA-N	231.183	-1.172	70	10	BAIE	
CN1CCO[C@@H](Cn2ncn(C)c2=O)C1	160746814	WTUZDVWYORMXPZ-MRVPVSSYSA-N	212.253	-1.088	70	10	BAIE	
[N-]=[N+]=NC(=O)C[C@@]1(O)CC(=O)NNC1=O	238696986	ZMPFTHJJVRNVFR-LURJTMIESA-N	213.153	-1.504	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)NCCCO	160048549	GCYUZMSLSNZUDE-LURJTMIESA-N	204.226	-1.625	70	10	BAIE	
CCC[C@@H](O)CNCC(=O)NC(N)=O	217895146	CCNZIDYUCZNSNJ-ZCFIWIBFSA-N	203.242	-1.068	70	10	BAIE	
O=C(CO)N[C@@H]1CCN(S(=O)(=O)F)C1	2241913395	OPOVTOAWCWUBLH-RXMQYKEDSA-N	226.229	-1.617	70	10	BAIE	
CN(CC(N)=O)C(=O)N[C@H]1CCOC1	159536562	FTCUDPSLVACJMA-LURJTMIESA-N	201.226	-1.098	70	10	BAIE	
CC(C)CNS(=O)(=O)N(CCO)CCO	161245168	LFNUFECMEAGWJZ-UHFFFAOYSA-N	240.325	-1.237	70	10	BAIE	
O=C(Cn1c(=O)cc[nH]c1=O)NC1CC1	218676431	OQTKAPYUCGJMCF-UHFFFAOYSA-N	209.205	-1.185	70	10	BAIE	
CCNCCNS(=O)(=O)NCCOC	161295681	JBNJYQCTVRJQNV-UHFFFAOYSA-N	225.314	-1.334	70	10	BAIE	
NC(=O)CN(CC(N)=O)C(=O)NC1CCCC1	160530489	CUBMDXWZHYLYEX-UHFFFAOYSA-N	242.279	-1.089	70	10	BAIE	
COC(=O)CN(CC(=O)OC)S(=O)(=O)F	1958682099	RXWKHMPBKYSGFA-UHFFFAOYSA-N	243.212	-1.151	70	10	BAIE	
CC(C)CNS(=O)(=O)NC[C@H](N)[C@@H](C)O	161303573	UXEZSGGPBBDFOR-SFYZADRCSA-N	239.341	-1.226	70	10	BAIE	
C[S@](=O)NC1CN(S(=O)(=O)F)C1	2241573278	GJQFEVZHZDIGAC-NSHDSACASA-N	216.259	-1.232	70	10	BAIE	
CCN(C)C(=O)CNCc1nnn(C)n1	218074837	JSRZCLXGEHPQOD-UHFFFAOYSA-N	212.257	-1.222	70	10	BAIE	
COCCNS(=O)(=O)N1CC[C@H](CN)C1	161294486	JEDNCRSHZRTNFW-MRVPVSSYSA-N	237.325	-1.252	70	10	BAIE	
CS(=O)(=O)CC(=O)N1CCOC[C@@H]1CN	159520962	ZLMWSWYBNDKTLG-ZETCQYMHSA-N	236.293	-1.783	70	10	BAIE	
C[C@@](O)(CO)CNC(=O)[C@@H]1CC(=O)NC(=O)N1	218153533	RGZHTBCJWMWECI-CDUCUWFYSA-N	245.235	-2.556	70	10	BAIE	
O=C(Nc1ccc(=O)[nH]n1)N(CCO)CCO	217303797	GBBNRRZHRPKAAJ-UHFFFAOYSA-N	242.235	-1.412	70	10	BAIE	
CNC[C@H](C)CNS(=O)(=O)NCCOC	161311868	CAJDBHRXASDGJK-QMMMGPOBSA-N	239.341	-1.088	70	10	BAIE	
C[C@]1(CO)CNCCN1S(=O)(=O)F	2241920793	OFNNKOVGDNLMJP-ZCFIWIBFSA-N	212.246	-1.143	70	10	BAIE	
NC(=O)CON[C@@H]1CS(=O)(=O)C[C@@H]1O	160337802	ATIMPURZMSXVFB-UHNVWZDZSA-N	224.238	-2.849	70	10	BAIE	
CCCNS(=O)(=O)N1CC(=O)NC(=O)C1	160790576	HGVLXAMGBGTLEC-UHFFFAOYSA-N	235.265	-1.811	70	10	BAIE	
COC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1	217851237	NAIUGKXCCSDZEM-QYNIQEEDSA-N	216.237	-1.613	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)N(C)CCO	160068376	VUNQHYYJZOMWBI-ZCFIWIBFSA-N	204.226	-1.673	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)N(C)CCOC	160073933	BQLWZBFOKXGAIX-ZETCQYMHSA-N	218.253	-1.018	70	10	BAIE	
CCS(=O)(=O)CCCNOCC(N)=O	160340277	SPBSIOIMROWWJY-UHFFFAOYSA-N	224.282	-1.182	70	10	BAIE	
CNS(=O)(=O)NCCCS(N)(=O)=O	161028457	SOOPTPKIHOWYBV-UHFFFAOYSA-N	231.299	-2.281	70	10	BAIE	
CC(C)(C)NS(=O)(=O)NOCC(N)=O	160458437	GBFOSCZOCXIXTG-UHFFFAOYSA-N	225.270	-1.374	70	10	BAIE	
CC(C)NS(=O)(=O)N1CCOC[C@@H]1CN	161093433	ZKJLMGAXQWJWLE-QMMMGPOBSA-N	237.325	-1.111	70	10	BAIE	
C#CC(=O)NCC1CN(S(=O)(=O)F)C1	1956200527	ZITCURWWDJOIDE-UHFFFAOYSA-N	220.225	-1.118	70	10	BAIE	
COCCNS(=O)(=O)NC[C@@H](C)CO	161253442	AVXVLDKBDNNKBE-SSDOTTSWSA-N	226.298	-1.315	70	10	BAIE	
NNc1nc2c(N)ncnc2n1CCO	218681738	YUTMQVYXIHFGDY-UHFFFAOYSA-N	209.213	-1.314	70	10	BAIE	
CNS(=O)(=O)N1CC[C@H](OC)C[C@@H]1CN	160958775	LVRXVYKSUJQKJZ-SFYZADRCSA-N	237.325	-1.111	70	10	BAIE	
CCN(C)C(=O)CN[C@H]1CC(=O)NC1=O	217939444	SWRMPAZIHYZKIW-LURJTMIESA-N	213.237	-1.531	70	10	BAIE	
CNS(=O)(=O)NCc1cnn(C)c1N	160919754	APRGFTKTVZQNSU-UHFFFAOYSA-N	219.270	-1.444	70	10	BAIE	
COCCNS(=O)(=O)NC[C@@H](C)C(=N)N	161349703	ZYAKYOUTKQCVRZ-ZCFIWIBFSA-N	238.313	-1.371	70	10	BAIE	
COCCNS(=O)(=O)NCCOC	161207245	YRMCDRZGKPJEOA-UHFFFAOYSA-N	212.271	-1.297	70	10	BAIE	
COCCNS(=O)(=O)N1CCC[C@H](O)C1	161242836	IVOALOUQTKWNPJ-QMMMGPOBSA-N	238.309	-1.076	70	10	BAIE	
N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCCOCC1	217576878	WUCYZBKOSJCAQU-BDAKNGLRSA-N	234.321	-1.167	70	10	BAIE	
CCNS(=O)(=O)N1CCO[C@H](C(=N)N)C1	161150980	GIOXJCJCQOWXQE-LURJTMIESA-N	236.297	-1.523	70	10	BAIE	
CO[C@H]1CNC[C@@H]1NS(=O)(=O)NC(C)C	160810654	ONZSYSZBBDWJLN-YUMQZZPRSA-N	237.325	-1.194	70	10	BAIE	
COCCNS(=O)(=O)NC(C)(C)CO	161241334	OPDDPXAZUHGSAT-UHFFFAOYSA-N	226.298	-1.172	70	10	BAIE	
C[S@@](=O)NC1CN(S(=O)(=O)F)C1	2241573273	GJQFEVZHZDIGAC-LLVKDONJSA-N	216.259	-1.232	70	10	BAIE	
CC(C)(C)NS(=O)(=O)NC(CO)CO	160696590	XLNQNKGYPXNKIW-UHFFFAOYSA-N	226.298	-1.438	70	10	BAIE	
CC(C)NS(=O)(=O)N1CCOC[C@@H]1CO	160754432	UPTXUDUHDPYEJP-QMMMGPOBSA-N	238.309	-1.078	70	10	BAIE	
CCNS(=O)(=O)N[C@H]1[C@H]2OCC[C@@H]2[C@H]1N	160910220	IETZODRVFSYFIU-XUTVFYLZSA-N	235.309	-1.455	70	10	BAIE	
CN([C@H]1CS(=O)(=O)C[C@@H]1O)C(C)(C)CO	160386693	SLZNKVDWWMFIOA-YUMQZZPRSA-N	237.321	-1.153	70	10	BAIE	
COC(=O)[C@@H](C)NC(=O)[C@H]1C[C@@H](O)CN1	217851331	NAIUGKXCCSDZEM-FSDSQADBSA-N	216.237	-1.613	70	10	BAIE	
CC[C@H](CCO)NC(=O)[C@@H]1C[C@@H](O)CN1	217938615	PJHFNRKDTNSYEI-HLTSFMKQSA-N	216.281	-1.014	70	10	BAIE	
CNS(=O)(=O)NCCS(N)(=O)=O	161019512	VAENOKQTQDVLHE-UHFFFAOYSA-N	217.272	-2.671	70	10	BAIE	
COCCNS(=O)(=O)NCCCCN	161170980	SVXQXWBSKAVOJV-UHFFFAOYSA-N	225.314	-1.204	70	10	BAIE	
CCN(CC(=N)N)S(=O)(=O)NCCOC	161348731	NLACRAWMWNXBRJ-UHFFFAOYSA-N	238.313	-1.275	70	10	BAIE	
O=S(=O)(F)N1CCO[C@H]2CNC[C@H]21	2241914860	KGJBYIGKXKMUIP-RITPCOANSA-N	210.230	-1.127	70	10	BAIE	
Cn1cnn(CCN2CCOCC2)c1=O	160744378	ACGQTWBGOWUWKF-UHFFFAOYSA-N	212.253	-1.086	70	10	BAIE	
OCCNC[C@@H](O)[C@H](O)CNCCO	216670701	FAPVGEKKWLVMKU-HTQZYQBOSA-N	208.258	-3.128	70	10	BAIE	
CCOC(=O)[C@@H](C)NC(=O)[C@H](N)CO	218418917	FUYMBTFBSZRALA-PHDIDXHHSA-N	204.226	-1.626	70	10	BAIE	
O=C(c1nn[nH]n1)N1CC(CS(=O)(=O)F)C1	1992826373	LALICKUAIUZCPB-UHFFFAOYSA-N	249.227	-1.429	70	10	BAIE	
C[C@@H](CN1CCOC[C@@H]1CN)C(N)=O	159555482	GKTKVZMRSMJEOX-YUMQZZPRSA-N	201.270	-1.233	70	10	BAIE	
CNS(=O)(=O)N(C)C[C@@]1(O)CCNC1	160267960	SEYVJRPJXAKJGV-SSDOTTSWSA-N	223.298	-1.893	70	10	BAIE	
NC(=O)CONC(=O)[C@@H]1CC[C@@H](N)C1	160353174	LCDFHDGTYULBJE-PHDIDXHHSA-N	201.226	-1.353	70	10	BAIE	
COCCNS(=O)(=O)NCCCO	161240588	PBTDIKGADUHMKP-UHFFFAOYSA-N	212.271	-1.561	70	10	BAIE	
COC(=O)N[C@H]1CCN(CC(N)=O)C1	160350301	NMGCAQHMZDGXGP-LURJTMIESA-N	201.226	-1.098	70	10	BAIE	
COCCNS(=O)(=O)NCC(C)(C)N	161312286	HWSBGTLBDMJUKR-UHFFFAOYSA-N	225.314	-1.206	70	10	BAIE	
N[C@@H]1[C@@H]2CCO[C@H]2[C@H]1NS(=O)(=O)F	2241918850	MOXWIPYXHRIULB-BGPJRJDNSA-N	210.230	-1.095	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)NC[C@H](C)O	160057392	RWLDZIXNFZPLKU-WDSKDSINSA-N	204.226	-1.626	70	10	BAIE	
COCCNS(=O)(=O)NC[C@H](C)CO	161253314	AVXVLDKBDNNKBE-ZETCQYMHSA-N	226.298	-1.315	70	10	BAIE	
CC[C@H](N)CNS(=O)(=O)CS(C)(=O)=O	160748131	BULRKTGHRPBUAH-LURJTMIESA-N	244.338	-1.355	70	10	BAIE	
COCCNS(=O)(=O)N(C)CCC(=N)N	161353370	AVCLVIRNYXHGFM-UHFFFAOYSA-N	238.313	-1.275	70	10	BAIE	
NCCC[C@H](NS(=O)(=O)F)C(=O)O	2241918969	OBYSQWQOFUXMKQ-BYPYZUCNSA-N	214.218	-1.018	70	10	BAIE	
COCCNS(=O)(=O)NC1CNC1	161305886	JZAOUHVHTOMOSV-UHFFFAOYSA-N	209.271	-1.971	70	10	BAIE	
COC(=O)[C@H](O)CNC(=O)[C@H]1CCOC1	217668677	IRBBKCYRCLNIPC-NKWVEPMBSA-N	217.221	-1.327	70	10	BAIE	
NC[C@@H]1CN(S(=O)(=O)NC2CC2)CCO1	160148592	XKKCIDZWABZIKS-MRVPVSSYSA-N	235.309	-1.357	70	10	BAIE	
CC[C@@H](CN)NS(=O)(=O)NCCOC	161165048	CWKBFIDGUVHDIX-ZETCQYMHSA-N	225.314	-1.206	70	10	BAIE	
C[C@@H](NC(N)=O)C(=O)NC1(CO)CC1	161070814	XEJRDQYOQPRRSL-RXMQYKEDSA-N	201.226	-1.316	70	10	BAIE	
CS(=O)(=O)NCC1CN(S(=O)(=O)F)C1	1956197871	DQENOZVSVLJPOG-UHFFFAOYSA-N	246.285	-1.318	70	10	BAIE	
C[C@@H](O)[C@@H](N)c1nnc(S(=O)(=O)F)n1C	1615874297	KMIHNAPDHKMYPN-QWWZWVQMSA-N	238.244	-1.146	70	10	BAIE	
COCC(=O)NC[C@H](O)Cn1ccccc1=O	218403185	VROHSLMYMARCRU-VIFPVBQESA-N	240.259	-1.028	70	10	BAIE	
CNS(=O)(=O)N(CC(N)=O)[C@@H]1CCNC1	160257444	OWMNQQAHDPZXEK-ZCFIWIBFSA-N	236.297	-2.400	70	10	BAIE	
NC[C@@H]([C@@H]1CCCS1(=O)=O)N1CCNCC1	217586552	UOVCTPBVHMATJI-UWVGGRQHSA-N	247.364	-1.204	70	10	BAIE	
COCCNS(=O)(=O)N1CCC[C@@H]1CO	161245843	PKCAAKAUHDNLCM-MRVPVSSYSA-N	238.309	-1.076	70	10	BAIE	
COCCNS(=O)(=O)N[C@H](C)CO	161241963	JUUWLUHWSPKWAI-ZCFIWIBFSA-N	212.271	-1.562	70	10	BAIE	
O=C(Cn1ccnn1)N1CC(S(=O)(=O)F)C1	1992827025	WPNJBMIKCFZZFG-UHFFFAOYSA-N	248.239	-1.212	70	10	BAIE	
Cn1ccc(C[C@H](CS(C)(=O)=O)NN)n1	160412976	BGLSUTTVMZQBKS-MRVPVSSYSA-N	232.309	-1.161	70	10	BAIE	
CNS(=O)(=O)N1C[C@H](CN)OC(C)(C)C1	161099060	ABHHVKFRHJWZEC-ZETCQYMHSA-N	237.325	-1.111	70	10	BAIE	
NCC1(O)CCN(S(=O)(=O)F)CC1	2241920728	NJCRAOBFFQWSHH-UHFFFAOYSA-N	212.246	-1.014	70	10	BAIE	
NC(=O)CONC(=O)CCNC1CC1	160354474	TYIXIORRMSAEHU-UHFFFAOYSA-N	201.226	-1.338	70	10	BAIE	
N=C(N)CCNS(=O)(=O)NC1CC1	161112964	DRTFRVRUXDYUKA-UHFFFAOYSA-N	206.271	-1.101	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)N[C@H](CC)CO	160056306	ICMGSRWHCOAECU-RQJHMYQMSA-N	218.253	-1.236	70	10	BAIE	
N=C(N)CNS(=O)(=O)NCC(F)(F)F	161116846	WIWSRPPDXNEILS-UHFFFAOYSA-N	234.203	-1.091	70	10	BAIE	
C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1)C(=O)N(C)C	218368249	YTXGLGIJAGJOHR-PRJMDXOYSA-N	229.280	-1.698	70	10	BAIE	
Nc1nc(C(=O)Nc2ccc(=O)[nH]n2)n[nH]1	161113783	PVRMETNYWZXUFT-UHFFFAOYSA-N	221.180	-1.278	70	10	BAIE	
CC(C)(C)NS(=O)(=O)NC[C@@](C)(O)CO	160714938	CVTCSPQCULXTAF-MRVPVSSYSA-N	240.325	-1.048	70	10	BAIE	
NC(=O)CONC[C@H](O)C(F)(F)F	160342942	OHBRZUBWTYMRNL-VKHMYHEASA-N	202.132	-1.084	70	10	BAIE	
CCN(CC(=O)OC)S(=O)(=O)NC	160978068	OAJYERGVDBHINC-UHFFFAOYSA-N	210.255	-1.055	70	10	BAIE	
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CCCNS(=O)(=O)NC[C@@H](N)[C@@H](C)O	160885362	QKOKUCLTBROKKO-RNFRBKRXSA-N	225.314	-1.472	70	10	BAIE	
NC[C@]1(O)CCCN(S(=O)(=O)F)C1	2241914811	JQIRTCJJZRMRRE-ZCFIWIBFSA-N	212.246	-1.014	70	10	BAIE	
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NC(=O)CONC(=O)[C@@H]1C[C@@H](O)CN1	160357096	NPSKFBJKYWYVCZ-UHNVWZDZSA-N	203.198	-2.758	70	10	BAIE	
CCCNS(=O)(=O)NC[C@H](N)[C@@H](C)O	160885223	QKOKUCLTBROKKO-RQJHMYQMSA-N	225.314	-1.472	70	10	BAIE	
NC(=O)CCN(CCO)CCC(N)=O	217396119	VZODGELLDMSSMQ-UHFFFAOYSA-N	203.242	-1.969	70	10	BAIE	
CCN(C)C(=O)CNCC(=O)NC(N)=O	218099599	XBAVXRBGOMVUKL-UHFFFAOYSA-N	216.241	-1.751	70	10	BAIE	
COCCNS(=O)(=O)N[C@H](C)CN	161164168	JRBPSMWFDMWDFK-ZCFIWIBFSA-N	211.287	-1.596	70	10	BAIE	
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NC(=O)CON[C@H]1CCCNC(=O)C1	160327929	PWXGIPDIAPYMRI-LURJTMIESA-N	201.226	-1.338	70	10	BAIE	
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COCNC(=O)NCCN1CCNCC1	217310260	GMNMCBDADCSXHC-UHFFFAOYSA-N	216.285	-1.205	70	10	BAIE	
CC[C@@H]1CNC[C@@H]1N1CC(=O)NC(=O)C1	161121774	BIFQWMPZVFGGQD-SFYZADRCSA-N	211.265	-1.057	70	10	BAIE	
COCCNS(=O)(=O)N1CCN[C@H](C)C1	161305193	JPUDGQMZWLHZHA-MRVPVSSYSA-N	237.325	-1.239	70	10	BAIE	
CCC[C@@H](N)CNc1n[nH]c(=O)[nH]c1=O	218535966	IEFGNKRVAVYYIQ-RXMQYKEDSA-N	213.241	-1.003	70	10	BAIE	
CCN(CC)C(=O)CNOCC(N)=O	160343937	OJWYVOWDECAJNI-UHFFFAOYSA-N	203.242	-1.139	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)N(C)C[C@H](C)O	160091539	UJSXMWVRCAKGMD-NKWVEPMBSA-N	218.253	-1.284	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)NC1(CO)CC1	160158518	XIEWGLUTDFDQGI-LURJTMIESA-N	216.237	-1.482	70	10	BAIE	
NC(=O)CONC(=O)CNCC1CC1	160354750	VGTHDDFATJEZSU-UHFFFAOYSA-N	201.226	-1.481	70	10	BAIE	
CCCNS(=O)(=O)NC[C@@H](N)[C@H](C)O	160885640	QKOKUCLTBROKKO-NKWVEPMBSA-N	225.314	-1.472	70	10	BAIE	
COCCNC(=O)N1CCN(CCN)CC1	217307241	GNAXJQIBCHZUKB-UHFFFAOYSA-N	230.312	-1.081	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)N(C)[C@H](C)CO	160133969	FEUUZWOCPVEFMH-RNFRBKRXSA-N	218.253	-1.284	70	10	BAIE	
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CCOC(=O)[C@H](N)C(=O)NC[C@H](C)O	160057258	RWLDZIXNFZPLKU-NTSWFWBYSA-N	204.226	-1.626	70	10	BAIE	
COC(=O)N[C@@H]1CCN(CC(N)=O)C1	160350200	NMGCAQHMZDGXGP-ZCFIWIBFSA-N	201.226	-1.098	70	10	BAIE	
CCNS(=O)(=O)N[C@H]1[C@@H](OCC)C[C@H]1N	160907802	OANWNKWRYZXUJG-GJMOJQLCSA-N	237.325	-1.065	70	10	BAIE	
COCCNS(=O)(=O)N[C@H]1CNC[C@@H]1C	161183543	QXAKPPCIZOVHKI-YUMQZZPRSA-N	237.325	-1.335	70	10	BAIE	
COCCNS(=O)(=O)N[C@@H](C)CCN	161170540	KCZSTPBVWUVTDS-ZETCQYMHSA-N	225.314	-1.206	70	10	BAIE	
CC(C)CNS(=O)(=O)NC[C@H](O)CO	161259660	PHVKTTJOVDOWFM-ZETCQYMHSA-N	226.298	-1.580	70	10	BAIE	
O=C(OCCO)N1CCOC[C@@H]1CO	159561978	KEJISVUMSPMXEB-ZETCQYMHSA-N	205.210	-1.192	70	10	BAIE	
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COCCNS(=O)(=O)N1CCCNCC1	161160076	LRTYTUUFLYJSOL-UHFFFAOYSA-N	237.325	-1.238	70	10	BAIE	
N[C@]1(C(=O)O)C[C@@H](NS(=O)(=O)F)C1	2241915343	QNMBHJCIIQCYGR-IWLYVCSRSA-N	212.202	-1.265	70	10	BAIE	
Cn1nccc1/C=C\C(=O)NC[C@H](O)CO	218233882	VWBZZIVLOMKMSX-XADBCAIWSA-N	225.248	-1.097	70	10	BAIE	
Nc1cc(CS(=O)(=O)F)cc(B(O)O)c1	1887511739	ZWMDGXSTXHYPLC-UHFFFAOYSA-N	233.029	-1.252	70	10	BAIE	
CNS(=O)(=O)N[C@H]1[C@H]2OCCC[C@@H]2[C@H]1N	160910694	QXGOGCRJIJKXET-XUTVFYLZSA-N	235.309	-1.455	70	10	BAIE	
CNC[C@@H](C)CNS(=O)(=O)NCCOC	161311999	CAJDBHRXASDGJK-MRVPVSSYSA-N	239.341	-1.088	70	10	BAIE	
NS(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	888080913	UDBNVLBJZLGWNU-SCSAIBSYSA-N	232.258	-1.437	70	10	BAIE	
CS(=O)(=O)N[C@H]1CCN(S(=O)(=O)F)C1	1955503670	AQGKAMAGWYHAEY-YFKPBYRVSA-N	246.285	-1.176	70	10	BAIE	
CNS(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	725709438	JRSJBCRSKBSRNE-YFKPBYRVSA-N	246.285	-1.176	70	10	BAIE	
CC(CO)(CO)C(=O)NC1CCNCC1	218363371	KOEKTGHLGSFUGD-UHFFFAOYSA-N	216.281	-1.155	70	10	BAIE	
NC(=O)CONC(=O)[C@@H]1C[C@H](O)CN1	160356978	NPSKFBJKYWYVCZ-WHFBIAKZSA-N	203.198	-2.758	70	10	BAIE	
NC(=O)CO[C@H]1CCN(S(=O)(=O)F)C1	1955505643	XCXXAPPBGHKCII-YFKPBYRVSA-N	226.229	-1.223	70	10	BAIE	
CNC(=O)[C@@H]1CNCCN1S(=O)(=O)F	2241919171	QRPOHJQYWKHWFS-YFKPBYRVSA-N	225.245	-1.780	70	10	BAIE	
CC[C@@H]1C(=O)NC(=O)CN1S(=O)(=O)NC	160793012	JKSWARJUWDGPBL-RXMQYKEDSA-N	235.265	-1.812	70	10	BAIE	
COCCOCCCNC[C@@H](O)CO	218771747	ACAVUGYZZIGMRO-SECBINFHSA-N	207.270	-1.018	70	10	BAIE	
C[C@@H](NC(=O)[C@@H]1C[C@@H](O)CN1)c1nncn1C	217815925	NSHMZBSKJCVXEM-PRJMDXOYSA-N	239.279	-1.285	70	10	BAIE	
CN([C@@H]1CS(=O)(=O)C[C@@H]1O)C(C)(C)CO	160386549	SLZNKVDWWMFIOA-SFYZADRCSA-N	237.321	-1.153	70	10	BAIE	
NC(=O)CONS(=O)(=O)NC1CC1	160458570	IBWBCLSAUJXGAL-UHFFFAOYSA-N	209.227	-2.010	70	10	BAIE	
COCCNS(=O)(=O)NCC(=O)OC	161320163	XOHGBYSAAHEWSM-UHFFFAOYSA-N	226.254	-1.770	70	10	BAIE	
COCCNS(=O)(=O)NC1[C@H]2CNC[C@H]12	161289929	SVLUIJVYVADJGB-BQBZGAKWSA-N	235.309	-1.725	70	10	BAIE	
NC(=O)[C@H]1C[C@@H](N)CN(S(=O)(=O)F)C1	2241915834	YBYOPJDZRWMKHW-CRCLSJGQSA-N	225.245	-1.665	70	10	BAIE	
NS(=O)(=O)N1CCC[C@H](S(=O)(=O)F)C1	725709258	ACNHVOISSZNOBP-YFKPBYRVSA-N	246.285	-1.046	70	10	BAIE	
CC(=O)On1nnnc1-c1nonc1N	238125122	MHCTXEZVEOMKNS-UHFFFAOYSA-N	211.141	-1.720	70	10	BAIE	
O=S(=O)(NC[C@]1(O)CCNC1)NC1CC1	160269614	UGWYGLGCUYQSQF-QMMMGPOBSA-N	235.309	-1.703	70	10	BAIE	
CCNS(=O)(=O)NCCS(N)(=O)=O	161019084	SPIPNZYMYUZWCT-UHFFFAOYSA-N	231.299	-2.281	70	10	BAIE	
OC[C@@H]1[C@H](O)[C@@H](O)CN1C[B-](F)(F)F	1883965125	PDBCFKBIKKLHDI-SRQIZXRXSA-N	213.972	-1.229	70	10	BAIE	
CCNS(=O)(=O)N[C@@H]1[C@@H](N)C[C@@H]1OCC	160908057	OANWNKWRYZXUJG-BIIVOSGPSA-N	237.325	-1.065	70	10	BAIE	
C[C@H](O)C(=O)NC1CN(S(=O)(=O)F)C1	2241574021	PZTRMDCNEDAMSP-BYPYZUCNSA-N	226.229	-1.618	70	10	BAIE	
N[C@@H]1C[C@H](CNS(=O)(=O)F)C[C@@H]1O	2241921666	ZPOOHDDAEQZEFG-JKUQZMGJSA-N	212.246	-1.112	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NOCCOC	160126578	LVLJCOOZJJTVEO-ZCFIWIBFSA-N	220.225	-1.429	70	10	BAIE	
COCCNS(=O)(=O)NCCOCCN	161330935	LTYNMFULVBHQRI-UHFFFAOYSA-N	241.313	-1.968	70	10	BAIE	
C[C@@H]1CN(CC[C@@H](N)C(N)=O)CCN1C	216625748	AOVQHRUCXLVTNX-RKDXNWHRSA-N	214.313	-1.175	70	10	BAIE	
CCS(=O)(=O)C[C@@H](C)NC[C@@H](O)CO	217327476	RPHKTUMOMYTYKI-HTQZYQBOSA-N	225.310	-1.248	70	10	BAIE	
Cn1nccc1/C=C\C(=O)NC[C@@H](O)CO	218233989	VWBZZIVLOMKMSX-PKRMOACSSA-N	225.248	-1.097	70	10	BAIE	
CN(C(=O)CNOCC(N)=O)C1CC1	160341979	LBODVSJNHJZBAK-UHFFFAOYSA-N	201.226	-1.386	70	10	BAIE	
O=C1C[C@@H](C(=O)NCC2CC(O)C2)NC(=O)N1	217537551	RBXGQJOFOYPMNP-AHXFUIDQSA-N	241.247	-1.528	70	10	BAIE	
CS(=O)(=O)[C@@H]1CNC[C@@H]1NS(=O)(=O)F	2241919791	AAPKQEWBQZYORD-CRCLSJGQSA-N	246.285	-1.825	70	10	BAIE	
C[C@@H](O)[C@H](N)CNS(=O)(=O)NC1CC1	160888076	UPGJKUHJWIAVNA-IYSWYEEDSA-N	223.298	-1.719	70	10	BAIE	
CCN(C)C(=O)CNS(=O)(=O)CCO	218585601	VQWILBGPHASYPD-UHFFFAOYSA-N	224.282	-1.624	70	10	BAIE	
COC(=O)NS(=O)(=O)N1CCNC(=O)C1	161017293	VTAJBOMNEDDVSS-UHFFFAOYSA-N	237.237	-1.981	70	10	BAIE	
COCCNS(=O)(=O)N(C)[C@H](C)CN	161174503	LYXYFTHBYUAICI-SSDOTTSWSA-N	225.314	-1.254	70	10	BAIE	
NC(=O)CONC(=O)[C@H]1CCCNC1	160350284	BGSXABVFSCEFAY-LURJTMIESA-N	201.226	-1.481	70	10	BAIE	
COCCNS(=O)(=O)N(CCO)C1CC1	161243895	LOFWWSYYGPOHTG-UHFFFAOYSA-N	238.309	-1.076	70	10	BAIE	
CC(C)(C)NS(=O)(=O)N1C[C@H](O)[C@H](O)C1	160719913	IWYPNFGZOJVBML-KNVOCYPGSA-N	238.309	-1.343	70	10	BAIE	
CCCNS(=O)(=O)NCCS(N)(=O)=O	161019639	OEKYUZASWCMRCL-UHFFFAOYSA-N	245.326	-1.891	70	10	BAIE	
CC[C@@](C)(CN)C(=O)NOCC(N)=O	160356248	SBKLQSDHXOWTJQ-QMMMGPOBSA-N	203.242	-1.106	70	10	BAIE	
C[C@H](NS(=O)(=O)NC1CC1)C(=N)N	161136411	HPMOLPKHRLSOHF-BYPYZUCNSA-N	206.271	-1.103	70	10	BAIE	
CS(=O)(=O)NC[C@H](O)Cn1ccccc1=O	218461413	IAUPWUBSHOBOFA-QMMMGPOBSA-N	246.288	-1.242	70	10	BAIE	
C[C@H](O)C(=O)NC1CN(S(=O)(=O)F)C1	2241569344	PZTRMDCNEDAMSP-BYPYZUCNSA-N	226.229	-1.618	70	10	BAIE	
COC(=O)[C@H](O)CNC(=O)[C@@H](C)OC	217684110	VWPQHXKQOOETTE-PHDIDXHHSA-N	205.210	-1.329	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)N[C@H](C)CCO	160129704	PIPZSMTYSYSXPK-RNFRBKRXSA-N	218.253	-1.236	70	10	BAIE	
NC(=O)CONC(=O)[C@H]1CC[C@H](N)C1	160353315	LCDFHDGTYULBJE-WDSKDSINSA-N	201.226	-1.353	70	10	BAIE	
COCCNS(=O)(=O)Nc1[nH]ncc1N	161178155	UMZFZUQLJPTXCU-UHFFFAOYSA-N	235.269	-1.115	70	10	BAIE	
Cn1[nH]c(CCN)nc1=NS(=O)(=O)F	2241920241	HDZXJNKCZUKYBS-UHFFFAOYSA-N	223.233	-1.636	70	10	BAIE	
C[C@H](O)CNCCNS(=O)(=O)F	2241919412	VAGJXAZJVMTTDA-YFKPBYRVSA-N	200.235	-1.239	70	10	BAIE	
CCNS(=O)(=O)NC1[C@H]2CNC[C@H]12	160813447	RKFACKWNRRBNSF-WDSKDSINSA-N	205.283	-1.352	70	10	BAIE	
CCNC(=O)[C@@H](C)NC(=O)[C@@H]1C[C@@H](O)CN1	218366066	CVLFCGXWTOBJIF-PRJMDXOYSA-N	229.280	-1.650	70	10	BAIE	
O=C1N[C@@H]2CN(C[B-](F)(F)F)C[C@H]2NC1=O	1957689396	WRXYPRNCKVMGKM-RFZPGFLSSA-N	235.982	-1.328	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)NC[C@@H](C)CO	160111045	ATGAIIDMFRQYHV-RQJHMYQMSA-N	218.253	-1.379	70	10	BAIE	
CN1CCO[C@H](CNOCC(N)=O)C1	160338829	SHXBQSIKXVRUAR-SSDOTTSWSA-N	203.242	-1.677	70	10	BAIE	
COC(=O)[C@H](O)CNC(=O)[C@@H]1CCCO1	217706929	OOZLRSWMYZBEFX-RQJHMYQMSA-N	217.221	-1.185	70	10	BAIE	
COCCNS(=O)(=O)N1CCC[C@H](N)C1	161161161	NJUBGSXJVUUIGV-QMMMGPOBSA-N	237.325	-1.110	70	10	BAIE	
COCCNS(=O)(=O)NC[C@@H](N)C1CC1	161311375	KIRGWAZFJQAYPX-MRVPVSSYSA-N	237.325	-1.206	70	10	BAIE	
CC[C@H](CCO)N[C@@H]1CS(=O)(=O)C[C@@H]1O	217835965	KNEYNNCXFBTZIK-HLTSFMKQSA-N	237.321	-1.105	70	10	BAIE	
COCCNS(=O)(=O)NCc1cn[nH]c1	161278957	YMLACHKLUDXSKG-UHFFFAOYSA-N	234.281	-1.020	70	10	BAIE	
CNS(=O)(=O)N1CC(S(=O)(=O)F)C1	1883852001	STZRZXBBJKDHGB-UHFFFAOYSA-N	232.258	-1.566	70	10	BAIE	
COCCNS(=O)(=O)NCCOCCO	161249525	NFBITQLSLKLGCU-UHFFFAOYSA-N	242.297	-1.934	70	10	BAIE	
NC(=O)CONC(=O)C[C@H]1CCCN1	160346543	KOMKPABXLJYJQC-ZCFIWIBFSA-N	201.226	-1.338	70	10	BAIE	
Nc1ccn([C@@H]2OC[C@@H](CO)[C@@H]2O)c(=O)n1	216750073	DJZBAXLBWHMMHW-MHSYXAOVSA-N	227.220	-1.676	70	10	BAIE	
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CC(=O)N[C@@H]1CCN(C[C@H](N)C(N)=O)C1	160291135	KMWQDUMRWMOEGQ-SFYZADRCSA-N	214.269	-1.991	70	10	BAIE	
NC1=NC(=O)[C@H](c2cn(CCO)nn2)O1	160715467	UQUSORCCHLHWDS-YFKPBYRVSA-N	211.181	-1.817	70	10	BAIE	
COCCNS(=O)(=O)NCC(N)=S	161223947	AAMZJIFHHZBMAE-UHFFFAOYSA-N	227.311	-1.657	70	10	BAIE	
COC(=O)[C@H](O)CNC(=O)[C@H](C)OC	217684272	VWPQHXKQOOETTE-NTSWFWBYSA-N	205.210	-1.329	70	10	BAIE	
CCCCNC(=O)CNOCC(N)=O	160345571	GPGCAAAUWLTBAI-UHFFFAOYSA-N	203.242	-1.091	70	10	BAIE	
CCS(=O)(=O)C[C@H](C)NC[C@@H](O)CO	217327477	RPHKTUMOMYTYKI-JGVFFNPUSA-N	225.310	-1.248	70	10	BAIE	
CCCNS(=O)(=O)NC(CO)CO	160696884	HESOGIXHLXMGSU-UHFFFAOYSA-N	212.271	-1.826	70	10	BAIE	
CCC[C@H](O)CNCC(=O)NC(N)=O	217895228	CCNZIDYUCZNSNJ-LURJTMIESA-N	203.242	-1.068	70	10	BAIE	
O=S(=O)(F)NCC1(O)CCNCC1	2241914751	IUJPRJYQEJAFIN-UHFFFAOYSA-N	212.246	-1.095	70	10	BAIE	
CNS(=O)(=O)N1CCN([C@@H](C)CN)CC1	160178321	RHXVIEPWJMRACW-QMMMGPOBSA-N	236.341	-1.585	70	10	BAIE	
COCCNS(=O)(=O)N(C)[C@H]1CCNC1	161181269	YYSHGPAJZGDUDJ-QMMMGPOBSA-N	237.325	-1.239	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NCCCO	160048414	GCYUZMSLSNZUDE-ZCFIWIBFSA-N	204.226	-1.625	70	10	BAIE	
COCCNS(=O)(=O)N(C)C[C@H](C)N	161331336	AGGQOKCCKDUVBH-ZETCQYMHSA-N	225.314	-1.254	70	10	BAIE	
COCCNS(=O)(=O)NC/C=C/CN	161317510	AARPQSOBXJYXTF-NSCUHMNNSA-N	223.298	-1.428	70	10	BAIE	
COCCNCCNS(=O)(=O)NC1CC1	160958501	VKRTVNKFKUZGFS-UHFFFAOYSA-N	237.325	-1.191	70	10	BAIE	
COCCNS(=O)(=O)N1CCOC[C@@H]1N	161238990	NAOAJASBEQSKFF-SSDOTTSWSA-N	239.297	-1.916	70	10	BAIE	
CC[C@@H](CCO)N[C@@H](CN)CC(N)=O	217772734	DJWSCAVTMWGLPG-JGVFFNPUSA-N	203.286	-1.060	70	10	BAIE	
CN1CC[C@@H](NC(=O)[C@@H]2C[C@@H](O)CN2)C1	218759114	YAVLSAZHCDFENC-HLTSFMKQSA-N	213.281	-1.471	70	10	BAIE	
CNS(=O)(=O)N1CCN(CCN)CC1	160129909	VSHUJOGCZATUTR-UHFFFAOYSA-N	222.314	-1.973	70	10	BAIE	
CC(C)C[C@H](N)C(=O)NOCC(N)=O	159605044	DWIUNHCVGPOJLI-LURJTMIESA-N	203.242	-1.107	70	10	BAIE	
COCCNS(=O)(=O)NCc1cc[nH]n1	161279492	RBRKAGJPZNPLHM-UHFFFAOYSA-N	234.281	-1.020	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)N[C@H](CC)CO	160056582	ICMGSRWHCOAECU-RNFRBKRXSA-N	218.253	-1.236	70	10	BAIE	
COCC(=O)NC1CN(S(=O)(=O)F)C1	2241568933	IVDJRCYDLDQQTB-UHFFFAOYSA-N	226.229	-1.353	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)N(C)CC(N)=O	160055768	DVYRCYSKHGXBAG-LURJTMIESA-N	217.225	-2.180	70	10	BAIE	
COCCNS(=O)(=O)NCCCC(=N)N	161349300	SBBQGIQEKHJYFK-UHFFFAOYSA-N	238.313	-1.227	70	10	BAIE	
COCCNS(=O)(=O)N(CCN)C1CC1	161167549	MUJPLNDSSVVSHW-UHFFFAOYSA-N	237.325	-1.110	70	10	BAIE	
O=C1N[C@H]2CN(C[B-](F)(F)F)C[C@H]2NC1=O	1957689397	WRXYPRNCKVMGKM-SYDPRGILSA-N	235.982	-1.328	70	10	BAIE	
O=S(=O)(F)N[C@@H]1CCNC[C@H]1CO	2241921147	SHJADXHCSQYITH-NTSWFWBYSA-N	212.246	-1.239	70	10	BAIE	
CCCNS(=O)(=O)NC[C@](C)(O)CO	160716131	KAOKBEXZHIWSQG-ZETCQYMHSA-N	226.298	-1.436	70	10	BAIE	
CNS(=O)(=O)N1CC(N2CCNCC2)C1	160905403	JSBUWIIOFBNIGP-UHFFFAOYSA-N	234.325	-1.960	70	10	BAIE	
CS(=O)(=O)NC[C@@H](O)Cn1ccccc1=O	218461491	IAUPWUBSHOBOFA-MRVPVSSYSA-N	246.288	-1.242	70	10	BAIE	
OC[C@@H]1[C@H](O)[C@H](O)CN1C[B-](F)(F)F	1883965124	PDBCFKBIKKLHDI-PBXRRBTRSA-N	213.972	-1.229	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)N(C)CCO	160068506	VUNQHYYJZOMWBI-LURJTMIESA-N	204.226	-1.673	70	10	BAIE	
C[C@@](O)(CO)CNS(=O)(=O)NC1CC1	160715986	BNLFMVXYDZBGAQ-ZETCQYMHSA-N	224.282	-1.684	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NOCC(N)=O	160131852	NEJBZBYJAMARAL-RXMQYKEDSA-N	219.197	-2.590	70	10	BAIE	
NC(=S)CNC(=O)C(=O)Nc1cccnn1	161122142	WBJTYFGKEUZRSH-UHFFFAOYSA-N	239.260	-1.183	70	10	BAIE	
CC(=O)NC1CCN(C[C@H](N)C(N)=O)CC1	160284976	YNJCQXKXYSOIOW-VIFPVBQESA-N	228.296	-1.601	70	10	BAIE	
Cn1nnc(-c2n[nH]c(S(=O)(=O)Cl)n2)n1	575465848	VLOSMDAAAMQKNW-UHFFFAOYSA-N	249.643	-1.077	70	10	BAIE	
COC[C@@H](N)C(=O)Nc1ccc(=O)[nH]n1	161102684	RPWGLHFWXRYXRB-RXMQYKEDSA-N	212.209	-1.318	70	10	BAIE	
Nc1nc(=O)n([C@H]2OC[C@@H](CO)O2)cc1F	217501613	VYTQHKAWLSZOFO-VHWMUFPASA-N	231.183	-1.172	70	10	BAIE	
CC[C@H](CCO)N[C@@H](CN)CC(N)=O	217772808	DJWSCAVTMWGLPG-HTQZYQBOSA-N	203.286	-1.060	70	10	BAIE	
Cc1cc(=O)n2nc(C[C@](C)(O)CN)nc2[nH]1	161465056	GUNGRAJPUNBXQW-JTQLQIEISA-N	237.263	-1.022	70	10	BAIE	
O=S(=O)(F)N[C@@H]1CNCC[C@@H]1CO	2241921117	SCDYFQICYRTFER-PHDIDXHHSA-N	212.246	-1.239	70	10	BAIE	
NC(=O)CN(CC(N)=O)C(=O)N[C@@H]1CCOC1	160531592	QBVCFGPVJQWLJO-ZCFIWIBFSA-N	244.251	-2.243	70	10	BAIE	
CNS(=O)(=O)N[C@@H](C(=N)N)C1CC1	161146466	DMMHDTQCZUETJV-RXMQYKEDSA-N	206.271	-1.245	70	10	BAIE	
CC(C)CNS(=O)(=O)NOCC(N)=O	161210040	MBXJSHPWPSKGGL-UHFFFAOYSA-N	225.270	-1.517	70	10	BAIE	
NC(=O)CON[C@H]1CS(=O)(=O)C[C@H]1O	160337451	ATIMPURZMSXVFB-CRCLSJGQSA-N	224.238	-2.849	70	10	BAIE	
C1CN([SiH2]N2CCOCC2)CCO1	689645521	VPXWKFQOPQYTSW-UHFFFAOYSA-N	202.330	-1.350	70	10	BAIE	
C[C@@H](O)CN(CCN)S(=O)(=O)F	2241914561	GFVYWOQUWGLCBP-RXMQYKEDSA-N	200.235	-1.158	70	10	BAIE	
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NC(=O)CONC(=O)[C@@H](N)CC(N)=O	159605322	JYKDRKQHBQLXRR-VKHMYHEASA-N	204.186	-3.278	70	10	BAIE	
C[C@@]1(C(=O)NOCC(N)=O)CCNC1	160346984	RHWIMGCMAKBOQR-MRVPVSSYSA-N	201.226	-1.481	70	10	BAIE	
CCNC[C@H](C)C(=O)NOCC(N)=O	160355019	ZXZIAEUSVSJHEP-LURJTMIESA-N	203.242	-1.235	70	10	BAIE	
NC(=O)CONC(=O)c1nonc1N	160357480	YLFLBXKOFXVJAH-UHFFFAOYSA-N	201.142	-2.202	70	10	BAIE	
N[C@@H]1[C@@H]2CCO[C@H]2[C@@H]1NS(=O)(=O)F	2241918853	MOXWIPYXHRIULB-SLPGGIOYSA-N	210.230	-1.095	70	10	BAIE	
NS(=O)(=O)N1CCN(S(=O)(=O)F)CC1	1956054666	ZYBCJUQBTAIMCC-UHFFFAOYSA-N	247.273	-1.978	70	10	BAIE	
NC(=O)CONC(=O)[C@@H]1CSCCN1	160352020	GVRQXFWRFLAHSN-YFKPBYRVSA-N	219.266	-1.776	70	10	BAIE	
CNC(=O)NP(=O)(O)NC(=O)NC	216633723	PIYOFFXRECWIRD-UHFFFAOYSA-N	210.130	-1.055	70	10	BAIE	
C[C@@H](O)C(=O)NC1CN(S(=O)(=O)F)C1	2241569345	PZTRMDCNEDAMSP-SCSAIBSYSA-N	226.229	-1.618	70	10	BAIE	
O=S1(=O)CCNN(S(=O)(=O)F)CC1	2241914716	ILGBABLZTRCBET-UHFFFAOYSA-N	232.258	-1.564	70	10	BAIE	
COCCNS(=O)(=O)NCCNC1CC1	161296517	NFSBNALGRCDBMJ-UHFFFAOYSA-N	237.325	-1.191	70	10	BAIE	
CCNS(=O)(=O)N1CC(=O)NC(=O)[C@H]1C	160792278	DAMVAWOFLAXSEF-RXMQYKEDSA-N	235.265	-1.812	70	10	BAIE	
CC(C)CNS(=O)(=O)NC[C@H](N)[C@H](C)O	161303844	UXEZSGGPBBDFOR-YUMQZZPRSA-N	239.341	-1.226	70	10	BAIE	
CCS(=O)(=O)C[C@H](C)NCC(N)=O	217327122	PGSDIFBUGIDDEW-LURJTMIESA-N	208.283	-1.116	70	10	BAIE	
CCNS(=O)(=O)N1CC(S(=O)(=O)F)C1	1897481113	JSNWCVFKAXDGLI-UHFFFAOYSA-N	246.285	-1.176	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)NC(C)(C)CO	160056850	QGZRECOJHDFCJX-LURJTMIESA-N	218.253	-1.236	70	10	BAIE	
CCCNS(=O)(=O)NC(C)(CO)CO	160726960	MHDUDJVPNNPZCA-UHFFFAOYSA-N	226.298	-1.436	70	10	BAIE	
CC(C)NS(=O)(=O)NC[C@](C)(O)CO	160715587	KNZQWNFWBFPQTJ-ZETCQYMHSA-N	226.298	-1.438	70	10	BAIE	
CNS(=O)(=O)N(CCOC)CCC(=N)N	161137941	KICXYDMEEGDMLQ-UHFFFAOYSA-N	238.313	-1.275	70	10	BAIE	
COCCNS(=O)(=O)N1CCNC[C@@H]1C	161297064	HDBPDDDMOWJQSX-QMMMGPOBSA-N	237.325	-1.239	70	10	BAIE	
O=C(Cn1cncn1)N1CC(S(=O)(=O)F)C1	1968215249	CAXVMMUJVYQLBZ-UHFFFAOYSA-N	248.239	-1.212	70	10	BAIE	
CCNS(=O)(=O)N(C)C[C@@]1(O)CCNC1	160267680	QNESVCKWLCNCFX-MRVPVSSYSA-N	237.325	-1.503	70	10	BAIE	
COCCNS(=O)(=O)N1CC[C@H](CO)C1	161248008	QOHXSYKJYXQPGA-QMMMGPOBSA-N	238.309	-1.219	70	10	BAIE	
O=S(=O)(NC[C@@H]1CNCCO1)NC1CC1	160245847	RJKPVCOHKWQGSX-QMMMGPOBSA-N	235.309	-1.439	70	10	BAIE	
COCCNS(=O)(=O)NCc1c[nH]cn1	161285175	BNWDIFZKDVEZGS-UHFFFAOYSA-N	234.281	-1.020	70	10	BAIE	
O=S1(=O)C[C@H]2CN(S(=O)(=O)F)C[C@H]21	1887050185	POXMQZANKBWGOR-RFZPGFLSSA-N	229.254	-1.071	70	10	BAIE	
NC[C@@H]1O[C@H](n2ccc(N)nc2=O)C[C@H]1N	218303186	FELVNZNODKCEDO-CHKWXVPMSA-N	225.252	-1.601	70	10	BAIE	
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CC(C)NC(=O)[C@@H](C)NOCC(N)=O	160329864	MAKPBOATRUAPNW-ZCFIWIBFSA-N	203.242	-1.094	70	10	BAIE	
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C[C@H](CNCCN)N(C)[C@H](N)CCO	217707533	KJWCSVHAYUAWCD-BDAKNGLRSA-N	204.318	-1.478	70	10	BAIE	
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CC(C)NS(=O)(=O)N1CCOC[C@H]1CO	160754561	UPTXUDUHDPYEJP-MRVPVSSYSA-N	238.309	-1.078	70	10	BAIE	
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CN1CCN[C@H](CNS(=O)(=O)F)C1	2241919307	SVJZSPNFLUBLBS-ZCFIWIBFSA-N	211.262	-1.306	70	10	BAIE	
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CN1CC[C@@H](NC(=O)[C@@H](N)CC(N)=O)C1	218758652	WAFQNXOZGADWKY-RQJHMYQMSA-N	214.269	-1.991	70	10	BAIE	
CC(C)CNS(=O)(=O)NNC(N)=S	161356042	CZFWETROORVPLY-UHFFFAOYSA-N	226.327	-1.185	70	10	BAIE	
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CNCCS(=O)(=O)N1CC[C@@H](CO)C1	159397487	SMSRBEYAAJFSJF-MRVPVSSYSA-N	222.310	-1.150	70	10	BAIE	
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NC1(CO)CCN(S(=O)(=O)F)CC1	2241919842	BCNJFCUYHXNWIG-UHFFFAOYSA-N	212.246	-1.014	70	10	BAIE	
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CNS(=O)(=O)NC[C@H](C)C(N)=S	160573915	VMUYGBXWONFFDP-BYPYZUCNSA-N	211.312	-1.038	70	10	BAIE	
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COCCNS(=O)(=O)NCC1(CN)CC1	161336998	GORRQFFYWWBZQI-UHFFFAOYSA-N	237.325	-1.204	70	10	BAIE	
CN1CCO[C@@H](CNOCC(N)=O)C1	160338953	SHXBQSIKXVRUAR-ZETCQYMHSA-N	203.242	-1.677	70	10	BAIE	
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O=S(=O)(NCC(F)(F)F)NC1CNC1	160901590	PKBXZRGSHHNTRZ-UHFFFAOYSA-N	233.215	-1.056	70	10	BAIE	
CCC[C@H](N)CNc1n[nH]c(=O)[nH]c1=O	218536047	IEFGNKRVAVYYIQ-YFKPBYRVSA-N	213.241	-1.003	70	10	BAIE	
CC(C)NS(=O)(=O)N(C)[C@@H]1CNC[C@H]1O	160819400	ORNSQVIKVWMNCS-HTQZYQBOSA-N	237.325	-1.506	70	10	BAIE	
CN1CCN(S(=O)(=O)F)[C@H](CN)C1	2241914706	IGGUZZQICSJPEU-ZCFIWIBFSA-N	211.262	-1.225	70	10	BAIE	
C[C@@H]1CN([C@H]2CS(=O)(=O)C[C@@H]2O)CCN1	159558085	IKHYHINGFVGMAT-VGMNWLOBSA-N	234.321	-1.562	70	10	BAIE	
CCCNC(=O)[C@@H](C)NC(=O)[C@H]1C[C@@H](O)CN1	217785222	WFGCJRFQGGXZGV-IWSPIJDZSA-N	243.307	-1.260	70	10	BAIE	
CC[C@H](C)[C@H](N)C(=O)NOCC(N)=O	159605958	RAVYVERITGQCRK-FSPLSTOPSA-N	203.242	-1.107	70	10	BAIE	
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CC(C)NS(=O)(=O)NC[C@@]1(O)CCNC1	160270046	JKXROHXTERVRDL-MRVPVSSYSA-N	237.325	-1.457	70	10	BAIE	
COCCNS(=O)(=O)NC1CCNCC1	161179103	XELUDXMWWQOQIA-UHFFFAOYSA-N	237.325	-1.191	70	10	BAIE	
Nc1ncc([C@@H](O)[C@H](O)[C@H](O)CO)nn1	217701813	RQMSMUHYZOLWPX-HSUXUTPPSA-N	216.197	-2.799	70	10	BAIE	
NCCOCCNS(=O)(=O)NC1CC1	161042339	FDNJRHRUCRIDJN-UHFFFAOYSA-N	223.298	-1.452	70	10	BAIE	
CCC[C@@H](CN)C(=O)NOCC(N)=O	160347620	XXGDAJJMSCMJAI-LURJTMIESA-N	203.242	-1.106	70	10	BAIE	
CNS(=O)(=O)N1C[C@@H](CN)OC(C)(C)C1	161099251	ABHHVKFRHJWZEC-SSDOTTSWSA-N	237.325	-1.111	70	10	BAIE	
O=S(=O)(F)NCC[C@]1(O)CCNC1	2241915161	NZOSMDPAHUKAIH-ZCFIWIBFSA-N	212.246	-1.095	70	10	BAIE	
COCCS(=O)(=O)N(C)[C@H]1CNC[C@@H]1O	218221510	QEOMYPOAKLXXNJ-YUMQZZPRSA-N	238.309	-1.773	70	10	BAIE	
CN1CC[C@H](NC(=O)[C@@H](N)CC(N)=O)C1	218758700	WAFQNXOZGADWKY-BQBZGAKWSA-N	214.269	-1.991	70	10	BAIE	
CC(=O)N[C@@H]1CCN(C(=N)NC(=N)N)C1	160279155	CGRYEUWBIJXSQL-ZCFIWIBFSA-N	212.257	-1.385	70	10	BAIE	
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COC[C@@H](N)C(=O)N1C[C@@H](O)C[C@@H]1CN(C)C	159993299	OLXCJGGCNHYWDF-KXUCPTDWSA-N	245.323	-1.517	70	10	BAIE	
N[C@@H]1CN(S(=O)(=O)F)[C@@H]2COC[C@@H]12	2241918063	FTQBBIDIGRAUNL-KVQBGUIXSA-N	210.230	-1.141	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)N[C@H](C)C(N)=O	160060406	OVVKNAKANBJVNJ-UHNVWZDZSA-N	217.225	-2.133	70	10	BAIE	
O=S(=O)(NC[C@@H](O)CO)NC1CC1	160714119	PHTLJUCKGWKBOU-ZCFIWIBFSA-N	210.255	-2.074	70	10	BAIE	
CCCNS(=O)(=O)N1CCOC[C@@H]1CN	161092387	MWRFDWZQZJRLRH-QMMMGPOBSA-N	237.325	-1.110	70	10	BAIE	
O=C(O)[C@@]1(NS(=O)(=O)F)CCCNC1	2241914500	FKDQVQQPYAHJSJ-ZCFIWIBFSA-N	226.229	-1.003	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NC1CC(O)C1	160113881	RLTFSTNYDBIYCG-KPGICGJXSA-N	216.237	-1.484	70	10	BAIE	
O=C(c1nn[nH]n1)N1CC[C@H](S(=O)(=O)F)C1	1936138541	WIUSJPBOTKXKQN-BYPYZUCNSA-N	249.227	-1.287	70	10	BAIE	
CCNS(=O)(=O)N1C[C@H](CN)OC[C@@H]1C	161071276	FOXJAAHPQUJBEG-YUMQZZPRSA-N	237.325	-1.111	70	10	BAIE	
O=S(=O)(CCO)N1CC[C@@H](CO)C1	159406320	IMRBJCVVIGIVTG-SSDOTTSWSA-N	209.267	-1.377	70	10	BAIE	
NC(=O)CONCC(=O)N1CCCC1	160342385	MDZKOSQMOPRABL-UHFFFAOYSA-N	201.226	-1.385	70	10	BAIE	
COCCNC(=O)NCCN1CCNCC1	217307242	JBFUOQVMONZKKD-UHFFFAOYSA-N	230.312	-1.163	70	10	BAIE	
COCCNS(=O)(=O)NC[C@@H](N)[C@@H](C)O	161304252	GLLTYEWNGYTQLC-RNFRBKRXSA-N	241.313	-2.235	70	10	BAIE	
COCCNS(=O)(=O)N[C@H](C)CC(=N)N	161346359	SBJJXBFNRFKFJD-ZCFIWIBFSA-N	238.313	-1.229	70	10	BAIE	
CCS(=O)(=O)C[C@H](C)NC[C@H](O)CO	217327481	RPHKTUMOMYTYKI-YUMQZZPRSA-N	225.310	-1.248	70	10	BAIE	
C[C@H](O)[C@H]1CCN(C[C@H](N)C(N)=O)C1	159395683	RYRJBBJJAQEHQS-FXQIFTODSA-N	201.270	-1.498	70	10	BAIE	
CN(C)C(=O)CCCNOCC(N)=O	160331279	CTDBYOKZOWDACQ-UHFFFAOYSA-N	203.242	-1.139	70	10	BAIE	
CNS(=O)(=O)N1CCN([C@H](C)CN)CC1	160178415	RHXVIEPWJMRACW-MRVPVSSYSA-N	236.341	-1.585	70	10	BAIE	
CNS(=O)(=O)N(CCN)CCOC	161078401	BDVZCXAIUUPWOR-UHFFFAOYSA-N	211.287	-1.642	70	10	BAIE	
COCCNS(=O)(=O)NCC1(O)CCC1	161274028	WAGSXUYCJYFMCD-UHFFFAOYSA-N	238.309	-1.028	70	10	BAIE	
NCC1CN(C(=O)CS(=O)(=O)C2CC2)C1	216708290	OXDZIDCTYQMMAZ-UHFFFAOYSA-N	232.305	-1.019	70	10	BAIE	
CC(=O)NCCN1CCO[C@@H](CN)C1	159507938	WTRNFAKKAZPXFA-VIFPVBQESA-N	201.270	-1.218	70	10	BAIE	
COCCNS(=O)(=O)NC[C@H](O)COC	161251816	GUNVMSMTKWRCSU-ZETCQYMHSA-N	242.297	-1.936	70	10	BAIE	
NS(=O)(=O)N1CC[C@H](S(=O)(=O)F)C1	725697247	UDBNVLBJZLGWNU-BYPYZUCNSA-N	232.258	-1.437	70	10	BAIE	
O=S(=O)(F)NC[C@@]12CN[C@@H](CO1)C2	2241915734	WWKPVEBVUUOCDB-PHDIDXHHSA-N	210.230	-1.079	70	10	BAIE	
NC[C@H]([C@@H]1CCS(=O)(=O)C1)N1CCNCC1	217586663	LONVWUJUFFTXNT-NXEZZACHSA-N	247.364	-1.346	70	10	BAIE	
CNS(=O)(=O)NCCn1cc(N)cn1	160237884	NPVNPRMMCUHIMU-UHFFFAOYSA-N	219.270	-1.481	70	10	BAIE	
CCNS(=O)(=O)NC[C@@](C)(O)CO	160715453	YSERLXZEOABJDV-ZCFIWIBFSA-N	212.271	-1.826	70	10	BAIE	
CC(C)NS(=O)(=O)NC[C@@H](N)[C@H](C)O	160887815	SSTOBVHGJMKGLV-NKWVEPMBSA-N	225.314	-1.473	70	10	BAIE	
C[C@@H](NC(=O)[C@H]1C[C@@H](O)CN1)C(=O)N(C)C	218368408	YTXGLGIJAGJOHR-BWZBUEFSSA-N	229.280	-1.698	70	10	BAIE	
NC(=O)COC1CN(S(=O)(=O)F)C1	1954484881	IDEXIDILJCUREZ-UHFFFAOYSA-N	212.202	-1.613	70	10	BAIE	
CCCNS(=O)(=O)NCCOCCN	161041651	PTVXKSUIHKQENA-UHFFFAOYSA-N	225.314	-1.204	70	10	BAIE	
CCS(=O)(=O)C[C@@H](C)NCC(N)=O	217327121	PGSDIFBUGIDDEW-ZCFIWIBFSA-N	208.283	-1.116	70	10	BAIE	
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CS(=O)(=O)CC(=O)N1CCOC[C@H]1CN	159521121	ZLMWSWYBNDKTLG-SSDOTTSWSA-N	236.293	-1.783	70	10	BAIE	
C[C@H](O)CNCCNS(=O)(=O)NC1CC1	160966361	UDPDNJDBIQDINR-ZETCQYMHSA-N	237.325	-1.457	70	10	BAIE	
COC(=O)NS(=O)(=O)N1CCN[C@H](C)C1	159542392	GNJOGBWBMTZKSD-ZCFIWIBFSA-N	237.281	-1.119	70	10	BAIE	
CCNS(=O)(=O)Nc1[nH]ncc1C(=N)N	161150007	OEYHDFPDLBZTFQ-UHFFFAOYSA-N	232.269	-1.040	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)NCC(C)(C)O	160111509	SRJMHSJPDVXWMQ-LURJTMIESA-N	218.253	-1.236	70	10	BAIE	
CNC(=O)[C@H]1CNCCN1S(=O)(=O)NC	160895722	QHCSWWOAVSMRJY-ZCFIWIBFSA-N	236.297	-2.530	70	10	BAIE	
CCNS(=O)(=O)NC[C@@H](N)[C@@H](C)O	160888662	TZQBCGZTGWKDKQ-PHDIDXHHSA-N	211.287	-1.862	70	10	BAIE	
CCNS(=O)(=O)NCCNC[C@H](C)O	160966712	YTWQZWMVTVJKMT-ZETCQYMHSA-N	225.314	-1.599	70	10	BAIE	
NC(=O)c1cn(CCS(=O)(=O)F)nn1	1333162324	CZDGFNOIEULJRD-UHFFFAOYSA-N	222.201	-1.324	70	10	BAIE	
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COCCNS(=O)(=O)N[C@@H]1CNC[C@@H]1C	161183784	QXAKPPCIZOVHKI-JGVFFNPUSA-N	237.325	-1.335	70	10	BAIE	
O=C1CC[C@H]([C@H](O)[C@H](O)[C@H](O)CO)N1	216917215	KKUOSCCLXIHLKF-HXOWADHMSA-N	205.210	-2.660	70	10	BAIE	
O=C(CNS(=O)(=O)F)N1CCNCC1	2241918870	MTBZTGZHIMWJFA-UHFFFAOYSA-N	225.245	-1.778	70	10	BAIE	
CCN(CCNC[C@H](N)C(N)=O)C1CC1	218557725	MGZRYRUATUQPRK-VIFPVBQESA-N	214.313	-1.127	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NCC[C@@H](C)O	160109779	YPKFUXNFFXZZNC-RNFRBKRXSA-N	218.253	-1.236	70	10	BAIE	
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CNCCN(C)S(=O)(=O)NCCOC	161218155	WMSGFEZRPMIAIL-UHFFFAOYSA-N	225.314	-1.382	70	10	BAIE	
COC(=O)[C@]1(N)C[C@H](NS(=O)(=O)F)C1	2241914665	HTLCYSQTVTYURP-DTXYKFKXSA-N	226.229	-1.177	70	10	BAIE	
CO[C@]1(CNC(=O)c2n[nH]c(N)n2)CCOC1	160404663	OVVOVCVBFPZBQC-VIFPVBQESA-N	241.251	-1.078	70	10	BAIE	
NC(=O)CN(CC(N)=O)C[B-](F)(F)F	203430943	VGALZPIRTKDJKI-UHFFFAOYSA-N	211.960	-1.354	70	10	BAIE	
CNS(=O)(=O)NCCNC[C@H](C)O	160965891	CFKXRJNJNUWMKG-LURJTMIESA-N	211.287	-1.989	70	10	BAIE	
CCN(C)C(=O)CN[C@@H]1CC(=O)NC1=O	217939356	SWRMPAZIHYZKIW-ZCFIWIBFSA-N	213.237	-1.531	70	10	BAIE	
CNS(=O)(=O)Nc1c(C(=N)N)cnn1C	161150272	XMEHCMASTYUZEQ-UHFFFAOYSA-N	232.269	-1.420	70	10	BAIE	
COC(=O)CNC(=O)[C@@H](N)CCC(N)=O	218773802	GJNWGKXHIPJPRG-YFKPBYRVSA-N	217.225	-2.132	70	10	BAIE	
O=S(=O)(F)NCCN1CCNCC1	2241919427	VFTLOQFYGQFEBA-UHFFFAOYSA-N	211.262	-1.305	70	10	BAIE	
NS(=O)(=O)NCC1CN(S(=O)(=O)F)C1	1956197766	DPWCLSMEXAXDBW-UHFFFAOYSA-N	247.273	-2.074	70	10	BAIE	
COCCNS(=O)(=O)NC(CO)CO	161255161	GUKXOXIJNHTGLA-UHFFFAOYSA-N	228.270	-2.590	70	10	BAIE	
O=S(=O)(Cl)c1ccc(B(O)O)cn1	707537882	MWVUXHGKOJOKIJ-UHFFFAOYSA-N	221.430	-1.311	70	10	BAIE	
CC(C)NC(=O)[C@H](C)NOCC(N)=O	160330011	MAKPBOATRUAPNW-LURJTMIESA-N	203.242	-1.094	70	10	BAIE	
CNS(=O)(=O)NCCCc1nnc[nH]1	160785586	RFVWYPAGDAGUNX-UHFFFAOYSA-N	219.270	-1.209	70	10	BAIE	
COC(=O)CNC(=O)[C@H](N)CCC(N)=O	218773729	GJNWGKXHIPJPRG-RXMQYKEDSA-N	217.225	-2.132	70	10	BAIE	
CNC(=O)N(CC(=O)OC)CC(=O)OC	160336697	FQPXAFUMUVOPAY-UHFFFAOYSA-N	218.209	-1.026	70	10	BAIE	
CS(=O)(=O)NC1CN(S(=O)(=O)Cl)C1	575458513	XYOIKLSYTOCDOD-UHFFFAOYSA-N	248.713	-1.297	70	10	BAIE	
COCCNS(=O)(=O)N[C@@H](C)C(N)=S	161224515	WJDFCTYHHAAQCL-YFKPBYRVSA-N	241.338	-1.269	70	10	BAIE	
CCS(=O)(=O)C[C@@H](C)NOCC(N)=O	217327657	GJLZCROPFGXFEE-ZCFIWIBFSA-N	224.282	-1.184	70	10	BAIE	
C[C@H]1COCCN1CC[C@@H](N)C(N)=O	218590440	KQWRYBLYZBFBBJ-JGVFFNPUSA-N	201.270	-1.090	70	10	BAIE	
NCCNC(=O)CN1CC[C@H](CCO)C1	159629522	FIQTUSSKWAJRNU-SECBINFHSA-N	215.297	-1.234	70	10	BAIE	
O=S(=O)(F)NC[C@@H]1CN[C@H]2CCN1C2	1891690543	KADGSFLCJNZUFT-BQBZGAKWSA-N	223.273	-1.164	70	10	BAIE	
O=S(=O)(F)N1CCN(C2CNC2)CC1	2241918766	LCJSVHOXENZWIH-UHFFFAOYSA-N	223.273	-1.210	70	10	BAIE	
NC(=O)CONC(=O)[C@@H]1CCC[C@@H]1N	160361336	IBZCKYGQESOWRQ-RITPCOANSA-N	201.226	-1.353	70	10	BAIE	
COCCNS(=O)(=O)N(C)[C@@H](C)CN	161174389	LYXYFTHBYUAICI-ZETCQYMHSA-N	225.314	-1.254	70	10	BAIE	
COCCNS(=O)(=O)N1CC[C@@H](CO)C1	161248131	QOHXSYKJYXQPGA-MRVPVSSYSA-N	238.309	-1.219	70	10	BAIE	
CC(=O)N[C@@H]1CCN([C@@H]2CNC[C@@H]2O)C1	160267327	MGDYQNVHDUHQBA-BBBLOLIVSA-N	213.281	-1.471	70	10	BAIE	
O=S1(=O)C[C@H](O)[C@H](S(=O)(=O)F)C1	675063327	QJVCCHOXGWMXRA-IUYQGCFVSA-N	218.227	-1.556	70	10	BAIE	
NCc1cn(CCNS(=O)(=O)F)nn1	2241917310	RTFKSHHWAIBFGQ-UHFFFAOYSA-N	223.233	-1.459	70	10	BAIE	
CCC[C@H](CN)C(=O)NOCC(N)=O	160347739	XXGDAJJMSCMJAI-ZCFIWIBFSA-N	203.242	-1.106	70	10	BAIE	
NCCNC(=O)C(=O)Nc1cccnn1	161057992	NFEIEKOIXPQWRH-UHFFFAOYSA-N	209.209	-1.510	70	10	BAIE	
NC(=O)[C@@H](N)CN1CC[C@@H](CCO)C1	159703767	RMLYJACUJQAVRN-YUMQZZPRSA-N	201.270	-1.497	70	10	BAIE	
CCNS(=O)(=O)N1CCNC[C@H]1C(N)=O	160895453	JGIYQTRYTKRGPU-LURJTMIESA-N	236.297	-2.400	70	10	BAIE	
COCCNS(=O)(=O)NCC(N)=O	161208484	UWHGSCXEFSBYAK-UHFFFAOYSA-N	211.243	-2.458	70	10	BAIE	
CCCNS(=O)(=O)N[C@@H]1CNC[C@@H]1OC	160809695	IPKQNSZVRGLWIH-SFYZADRCSA-N	237.325	-1.193	70	10	BAIE	
O=C(CO)NCC1CN(S(=O)(=O)F)C1	1885664476	OALXBWOFZAORNZ-UHFFFAOYSA-N	226.229	-1.759	70	10	BAIE	
CCNC(C)(C)C(=O)NOCC(N)=O	160363062	JGZROFXMNWBRND-UHFFFAOYSA-N	203.242	-1.092	70	10	BAIE	
CC(C)(C)NS(=O)(=O)NNC(N)=S	161152685	BHHPARUFNLUSDH-UHFFFAOYSA-N	226.327	-1.043	70	10	BAIE	
COCCNS(=O)(=O)N(C)C[C@H](C)CN	161169111	CBYAIOGCKVTYHZ-MRVPVSSYSA-N	239.341	-1.006	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NC[C@H](O)CO	160115383	KCUJIKKBKOHZBI-NTSWFWBYSA-N	220.225	-2.654	70	10	BAIE	
CC(C)CNC(=O)CNOCC(N)=O	160341396	WFCRQNGVNRMOEB-UHFFFAOYSA-N	203.242	-1.235	70	10	BAIE	
O=C(CCCO)N1CCOC[C@@H]1CO	159561687	SMUUCDRGQOUQJS-QMMMGPOBSA-N	203.238	-1.021	70	10	BAIE	
CC(=O)NC1CCN(C[C@@H](O)CO)CC1	159601830	GNFJOXZWCGZEEH-SNVBAGLBSA-N	216.281	-1.060	70	10	BAIE	
NC(CO)(CO)CNS(=O)(=O)F	2241914543	FZXOOBMUWOSZSL-UHFFFAOYSA-N	202.207	-2.528	70	10	BAIE	
O=S1(=O)C[C@@H](O)[C@@H](N2CCCC[C@@H]2CO)C1	218638821	XWBQMHSKDJRLSH-KXUCPTDWSA-N	249.332	-1.009	70	10	BAIE	
CCNS(=O)(=O)NCCNC[C@@H](C)O	160966630	YTWQZWMVTVJKMT-SSDOTTSWSA-N	225.314	-1.599	70	10	BAIE	
COCCNS(=O)(=O)N1CC[C@H](N)C1	161293945	AALYOGULRWFBPK-ZETCQYMHSA-N	223.298	-1.500	70	10	BAIE	
NC(=O)CONC(=O)c1n[nH]c(N)n1	160356669	YOOGFLLKXVLNFH-UHFFFAOYSA-N	200.158	-2.466	70	10	BAIE	
CC[C@H](CCO)NC(=O)CNC(=O)CN	217932013	JAXIHYVMTNQXEC-SSDOTTSWSA-N	217.269	-1.662	70	10	BAIE	
CCNS(=O)(=O)NCCOCCN	161041917	ICNMJBVXAQLKNW-UHFFFAOYSA-N	211.287	-1.594	70	10	BAIE	
COCCNS(=O)(=O)N[C@@H]1CCC[C@@H]1N	161298142	GBIDYFCYCBYAJP-JGVFFNPUSA-N	237.325	-1.063	70	10	BAIE	
CC[C@@H](CCO)NC(=O)CNC(=O)CN	217931948	JAXIHYVMTNQXEC-ZETCQYMHSA-N	217.269	-1.662	70	10	BAIE	
COC(OC)[C@]([SiH3])(NCCN)C(C)C	396027882	CFSYIAABANJDOL-VIFPVBQESA-N	220.389	-1.129	70	10	BAIE	
NS(=O)(=O)NCCS(=O)(=O)Cl	167607190	KSOYLZVZUSPJHR-UHFFFAOYSA-N	222.675	-1.652	70	10	BAIE	
N[C@@H]1C[C@H](O)[C@H](CNS(=O)(=O)F)C1	2241914671	HUNDIZSRQQZFNH-ZLUOBGJFSA-N	212.246	-1.112	70	10	BAIE	
NC[C@@H]1COCCN1CC(=O)NC1CC1	159550997	SSUTZZZOBLPGOT-SECBINFHSA-N	213.281	-1.076	70	10	BAIE	
COCCNS(=O)(=O)N[C@H]1CNC[C@H]1C	161183425	QXAKPPCIZOVHKI-SFYZADRCSA-N	237.325	-1.335	70	10	BAIE	
C[C@@H]1CN(CC[C@@H](N)C(N)=O)CCO1	218561402	VRGGSRUXJCYJTC-HTQZYQBOSA-N	201.270	-1.090	70	10	BAIE	
COCCNC(=O)Cn1c(=O)cc[nH]c1=O	218673638	NJLDUFHARVFRCC-UHFFFAOYSA-N	227.220	-1.701	70	10	BAIE	
O=S(=O)(F)N[C@@]1(CO)CCCNC1	2241914904	KXEDBHCKECCTPN-LURJTMIESA-N	212.246	-1.095	70	10	BAIE	
COCCS(=O)(=O)N[C@H]1CNC[C@H]1OC	218223791	OUZNEEVQPNSIDO-JGVFFNPUSA-N	238.309	-1.461	70	10	BAIE	
O=S1(=O)CCN(S(=O)(=O)F)CC1	1772796041	BUYGVCAKKPWGAC-UHFFFAOYSA-N	217.243	-1.069	70	10	BAIE	
COC(=O)N[C@H]1CCN(C[C@H](N)C(N)=O)C1	160282995	JWPABWSJTMIDEP-BQBZGAKWSA-N	230.268	-1.771	70	10	BAIE	
COCCNS(=O)(=O)N1CC[C@@H](CN)C1	161294611	JEDNCRSHZRTNFW-QMMMGPOBSA-N	237.325	-1.252	70	10	BAIE	
CC[C@H](C)/C([SiH3])=C(/[SiH3])[C@@H](N)CN	379338466	KQRIKNIHJACELP-PZDQFLETSA-N	202.450	-1.739	70	10	BAIE	
O=S(=O)(F)NC[C@H]1CN2CCN1CC2	1955505110	REOXSMYPPFDBQD-ZETCQYMHSA-N	223.273	-1.210	70	10	BAIE	
O=C(O)[C@]1(NS(=O)(=O)F)CCCNC1	2241914499	FKDQVQQPYAHJSJ-LURJTMIESA-N	226.229	-1.003	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)N[C@@H](C)CCO	160129527	PIPZSMTYSYSXPK-NKWVEPMBSA-N	218.253	-1.236	70	10	BAIE	
CN([C@@H]1CNC[C@H]1O)S(=O)(=O)NC1CC1	160819515	DGMJTURQJWCIBH-HTQZYQBOSA-N	235.309	-1.752	70	10	BAIE	
C#CC(=O)N1CCN(S(=O)(=O)F)CC1	1956052628	CWORMGYEARUMIT-UHFFFAOYSA-N	220.225	-1.022	70	10	BAIE	
COCCNS(=O)(=O)N1CC[C@@H](N)C1	161294088	AALYOGULRWFBPK-SSDOTTSWSA-N	223.298	-1.500	70	10	BAIE	
CCNS(=O)(=O)NC[C@H](N)[C@H](C)O	160888783	TZQBCGZTGWKDKQ-WDSKDSINSA-N	211.287	-1.862	70	10	BAIE	
CNC(=O)[C@@H]1CNCCN1S(=O)(=O)NC	160895590	QHCSWWOAVSMRJY-LURJTMIESA-N	236.297	-2.530	70	10	BAIE	
C[C@H]1CNC[C@@H]1C(=O)NOCC(N)=O	159604250	GXNVETUTVUFTTC-WDSKDSINSA-N	201.226	-1.625	70	10	BAIE	
NC(=O)CONC(=O)[C@@H]1COC[C@H]1N	160361863	KPHNVCJRSXBUJY-RFZPGFLSSA-N	203.198	-2.507	70	10	BAIE	
COCCNS(=O)(=O)N[C@H]1CCC[C@H]1N	161298398	GBIDYFCYCBYAJP-SFYZADRCSA-N	237.325	-1.063	70	10	BAIE	
COCCNS(=O)(=O)NC1(CN)CCC1	161342029	YXDRPAGMZOCYGC-UHFFFAOYSA-N	237.325	-1.062	70	10	BAIE	
C[C@H]1CN([C@H]2CS(=O)(=O)C[C@@H]2O)CCN1	159594535	IKHYHINGFVGMAT-CIUDSAMLSA-N	234.321	-1.562	70	10	BAIE	
NC(=O)CONC(=O)C1CCNCC1	159603491	NVUFNWIMNZWDPI-UHFFFAOYSA-N	201.226	-1.481	70	10	BAIE	
CCNS(=O)(=O)NC(C)(CO)CO	160726553	ZEYBTZOWYNVLFC-UHFFFAOYSA-N	212.271	-1.826	70	10	BAIE	
O=S1(=O)C[C@@H](O)[C@H](N2CCC[C@@H]2CO)C1	218194096	HAQOJHKQOPDZDL-IWSPIJDZSA-N	235.305	-1.399	70	10	BAIE	
O=C(Cn1cnnc1)N1CC(S(=O)(=O)F)C1	1992830712	JPMWXFJQPGXLMG-UHFFFAOYSA-N	248.239	-1.212	70	10	BAIE	
O=S(=O)(F)N1C[C@@H]2CN[C@@H](CO)[C@H]2C1	2241915922	ZMLOKNQDZBOLRU-ACZMJKKPSA-N	224.257	-1.287	70	10	BAIE	
CNS(=O)(=O)NCCOC1CCNCC1	160865449	PJBTWSDYLFAJCV-UHFFFAOYSA-N	237.325	-1.191	70	10	BAIE	
Cn1ccnc1C[C@@H](CS(C)(=O)=O)NN	159454461	TUEZQGPYZSUOAZ-ZETCQYMHSA-N	232.309	-1.161	70	10	BAIE	
O=S(=O)(F)N1C[C@@H]2CN[C@@H](CO)[C@@H]2C1	2241915925	ZMLOKNQDZBOLRU-XVMARJQXSA-N	224.257	-1.287	70	10	BAIE	
COCCNS(=O)(=O)NC[C@H](C)O	161242187	BUQSMRZFYPVHFM-LURJTMIESA-N	212.271	-1.562	70	10	BAIE	
CCN(C)C(=O)CNC[C@H](O)CN(C)C	218161005	LKYMAIMWPITOCS-VIFPVBQESA-N	217.313	-1.023	70	10	BAIE	
Nc1ccc(N2CC(=O)NC(=O)C2)nn1	159938396	GWAPFSSRUAOXFG-UHFFFAOYSA-N	207.193	-1.478	70	10	BAIE	
C[C@@H](CO)Sc1nn(C)c(=O)n(C)c1=O	160683376	DYJAKRKNNPBUBA-YFKPBYRVSA-N	231.277	-1.048	70	10	BAIE	
CCNS(=O)(=O)N(CCN)CCOC	161078506	FYUDECCBYRZLEB-UHFFFAOYSA-N	225.314	-1.252	70	10	BAIE	
CCO[C@@H]1C[C@H](N)[C@@H]1NS(=O)(=O)NC	160906209	LIXPWUAWHLOFPF-XVMARJQXSA-N	223.298	-1.455	70	10	BAIE	
CC[C@H](CN)NS(=O)(=O)NCCOC	161165169	CWKBFIDGUVHDIX-SSDOTTSWSA-N	225.314	-1.206	70	10	BAIE	
CCCNS(=O)(=O)N1CCOC[C@@H]1CO	160754956	XSPDIRDGPBJZKV-QMMMGPOBSA-N	238.309	-1.076	70	10	BAIE	
CCC[C@H](O)CN[C@H]1CS(=O)(=O)C[C@@H]1O	217897851	KDRSSAMXQOKKPS-CIUDSAMLSA-N	237.321	-1.105	70	10	BAIE	
O=C(O)[C@H]1CNCCN1S(=O)(=O)F	2241919245	RRFDXAVJTKHWPF-SCSAIBSYSA-N	212.202	-1.441	70	10	BAIE	
COCCNS(=O)(=O)N(C)C[C@@H](C)O	161247605	NRTLDKPBKLRHAH-SSDOTTSWSA-N	226.298	-1.220	70	10	BAIE	
COCCNS(=O)(=O)NC[C@H](N)[C@H](C)O	161304374	GLLTYEWNGYTQLC-BQBZGAKWSA-N	241.313	-2.235	70	10	BAIE	
CN(C)CC(=O)NCCCS(N)(=O)=O	218197304	JBZMJZUDXAHENQ-UHFFFAOYSA-N	223.298	-1.657	70	10	BAIE	
NCCNC(=O)CN1CC[C@@H](CCO)C1	159629374	FIQTUSSKWAJRNU-VIFPVBQESA-N	215.297	-1.234	70	10	BAIE	
COCCNS(=O)(=O)N1CCC[C@@H](N)C1	161161296	NJUBGSXJVUUIGV-MRVPVSSYSA-N	237.325	-1.110	70	10	BAIE	
COCCNS(=O)(=O)N(C)CC(N)=S	161227251	RYEHCWNDESWCGD-UHFFFAOYSA-N	241.338	-1.315	70	10	BAIE	
CC(C)(C)NS(=O)(=O)NC(C)(CO)CO	160726325	RILYJFXVPPAZPS-UHFFFAOYSA-N	240.325	-1.048	70	10	BAIE	
O=S(=O)(F)N1CCOCC12CNC2	2241920312	IDFKSDZKZBJUNM-UHFFFAOYSA-N	210.230	-1.125	70	10	BAIE	
C[C@@H](CN)S(=O)(=O)Nc1ccc(=O)[nH]n1	161071843	FBFNEDMNRBKRBL-YFKPBYRVSA-N	232.265	-1.141	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)NC1COC1	160119450	NFKUTEZFADRPBE-LURJTMIESA-N	202.210	-1.608	70	10	BAIE	
CS(=O)(=O)N1CCN(S(=O)(=O)F)CC1	1955509307	IXEWNXLSSCCTFN-UHFFFAOYSA-N	246.285	-1.222	70	10	BAIE	
CCNS(=O)(=O)NCCn1cc(N)cn1	160237607	UFVWWFDPDBLRJU-UHFFFAOYSA-N	233.297	-1.091	70	10	BAIE	
NC[C@@H]([C@H]1CCCS1(=O)=O)N1CCNCC1	217586477	UOVCTPBVHMATJI-VHSXEESVSA-N	247.364	-1.204	70	10	BAIE	
O=C1C[C@@H](C(=O)NC2CNC2)NC(=O)N1	218258784	NWYNRXZSNAJKPY-YFKPBYRVSA-N	212.209	-2.328	70	10	BAIE	
O=S(=O)(F)N1CC(N2CCNCC2)C1	2241914199	AFPXKIKPRGUBEV-UHFFFAOYSA-N	223.273	-1.210	70	10	BAIE	
CC[C@H](C)/C([SiH3])=C(/[SiH3])[C@H](N)CN	379338467	KQRIKNIHJACELP-YALLPQADSA-N	202.450	-1.739	70	10	BAIE	
NC(=O)[C@@H]1C[C@H](N)CN(S(=O)(=O)F)C1	2241915836	YBYOPJDZRWMKHW-UHNVWZDZSA-N	225.245	-1.665	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NCCCN	160079257	KXCPMTULFGDENT-ZCFIWIBFSA-N	203.242	-1.658	70	10	BAIE	
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CNC[C@H](O)CN(C)S(=O)(=O)F	2241919829	AUUCUNSGWGPSGT-YFKPBYRVSA-N	200.235	-1.287	70	10	BAIE	
CC(C)[C@H](N)CNC(=O)[C@@H]1CC(=O)NC(=O)N1	216996975	JBVZRFJPTQQPMK-RQJHMYQMSA-N	242.279	-1.316	70	10	BAIE	
NC[C@H]1COCCN1[C@H]1CCS(=O)(=O)C1	159556249	LPUQFYCULZHPNT-IUCAKERBSA-N	234.321	-1.167	70	10	BAIE	
O=C(c1nn[nH]n1)N1CC[C@@H](S(=O)(=O)F)C1	1936138542	WIUSJPBOTKXKQN-SCSAIBSYSA-N	249.227	-1.287	70	10	BAIE	
CC[C@H](O)CNS(=O)(=O)NCCOC	161269287	KWAIHGRVAPJDJX-ZETCQYMHSA-N	226.298	-1.172	70	10	BAIE	
CN1CCO[C@@H](CN2C[C@@H](O)CC2=O)C1	217803331	VFZYODSZVRJOGF-DTWKUNHWSA-N	214.265	-1.090	70	10	BAIE	
CC[C@H]1CNC[C@@H]1N1CC(=O)NC(=O)C1	161121888	BIFQWMPZVFGGQD-YUMQZZPRSA-N	211.265	-1.057	70	10	BAIE	
NC(=O)CONCC(=O)NCC1CC1	160335215	ZYWCHEDSJKHBKF-UHFFFAOYSA-N	201.226	-1.481	70	10	BAIE	
COCCNS(=O)(=O)N(C)C[C@H](C)O	161247481	NRTLDKPBKLRHAH-ZETCQYMHSA-N	226.298	-1.220	70	10	BAIE	
COCCNS(=O)(=O)NCC(C)(C)O	161253823	UGUVKAXNIIJDKK-UHFFFAOYSA-N	226.298	-1.172	70	10	BAIE	
CC(C)(NC(=O)c1ccc(=O)[nH]n1)C(N)=O	218103114	QUXIXFQFSYTPPD-UHFFFAOYSA-N	224.220	-1.236	70	10	BAIE	
O=S(=O)(F)N[C@@H]1CO[C@H]2CNC[C@@H]12	2241920648	MGKRWEGGMKGRFA-JKUQZMGJSA-N	210.230	-1.223	70	10	BAIE	
CC(C)[C@@H](CN)C(=O)NOCC(N)=O	160355132	IFWKXGGGXBWDPN-ZCFIWIBFSA-N	203.242	-1.250	70	10	BAIE	
NS(=O)(=O)N1CC(S(=O)(=O)F)C1	1881480593	XUGQGFZZSOPBMG-UHFFFAOYSA-N	218.231	-1.827	70	10	BAIE	
CC(C)NS(=O)(=O)NC[C@@H](O)CO	160713862	UEAYQMLSPVCVAJ-ZCFIWIBFSA-N	212.271	-1.828	70	10	BAIE	
COCCNS(=O)(=O)N[C@@H](C)CN	161164049	JRBPSMWFDMWDFK-LURJTMIESA-N	211.287	-1.596	70	10	BAIE	
CCN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C1CNC1	218256605	SFVMQLLJKUNWMQ-ZETCQYMHSA-N	240.263	-1.595	70	10	BAIE	
C[C@@H](O)C(C)(C)NC(=O)Cn1cnnn1	161328806	ZPCJMWXEAHDCQC-ZCFIWIBFSA-N	213.241	-1.051	70	10	BAIE	
CNC(=O)CCN1CCOC[C@H]1CN	159546797	HLAYJGDNTCQFBA-MRVPVSSYSA-N	201.270	-1.218	70	10	BAIE	
O=S1(=O)C[C@@H](O)[C@H](N2CCC[C@@H](CO)C2)C1	218640850	NNAFYVKHFSMJFK-OPRDCNLKSA-N	249.332	-1.151	70	10	BAIE	
NCCCS(=O)(=O)Nc1ccc(=O)[nH]n1	161072236	WOXJKERXGBDGLL-UHFFFAOYSA-N	232.265	-1.140	70	10	BAIE	
CS(=O)(=O)NCCS(=O)(=O)F	1887611546	VTVIQVHBUPAXDO-UHFFFAOYSA-N	205.232	-1.165	70	10	BAIE	
COCCNC(=O)CNC(=O)C1CNC1	161230432	XXHFBSVGEZPJOH-UHFFFAOYSA-N	215.253	-1.915	70	10	BAIE	
CNS(=O)(=O)N1CC[C@@H](S(=O)(=O)F)C1	888084032	JRSJBCRSKBSRNE-RXMQYKEDSA-N	246.285	-1.176	70	10	BAIE	
C[C@H](O)[C@@H](N)c1nnc(S(=O)(=O)F)n1C	1615874296	KMIHNAPDHKMYPN-IUYQGCFVSA-N	238.244	-1.146	70	10	BAIE	
COCCNS(=O)(=O)NC[C@@H](C)CN	161171356	YUGRUYZKAPJAJZ-ZETCQYMHSA-N	225.314	-1.348	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)NOCCOC	160126668	LVLJCOOZJJTVEO-LURJTMIESA-N	220.225	-1.429	70	10	BAIE	
C[C@@H](NOCC(N)=O)C(=O)NC(N)=O	160345015	NOOQNYBXDBXYRH-GSVOUGTGSA-N	204.186	-2.424	70	10	BAIE	
C[C@@H]1NCC[C@H]1C(=O)NOCC(N)=O	160355771	AIFAGRRTRXLWRO-NTSWFWBYSA-N	201.226	-1.483	70	10	BAIE	
COCCNS(=O)(=O)N[C@H]1CCNC1	161179969	OYEHSVVEKVFGBH-ZETCQYMHSA-N	223.298	-1.581	70	10	BAIE	
CC[C@@H](CN)CC(=O)NOCC(N)=O	160350807	IFJUFQNYZYPJLP-ZCFIWIBFSA-N	203.242	-1.106	70	10	BAIE	
CC(C)NS(=O)(=O)NC(C)(CO)CO	160726685	CLJSBEQLCXOCET-UHFFFAOYSA-N	226.298	-1.438	70	10	BAIE	
O=C(CO)N[C@H]1CCN(S(=O)(=O)F)C1	2241913396	OPOVTOAWCWUBLH-YFKPBYRVSA-N	226.229	-1.617	70	10	BAIE	
C[C@H]1NCC[C@@H]1C(=O)NOCC(N)=O	160355874	AIFAGRRTRXLWRO-RITPCOANSA-N	201.226	-1.483	70	10	BAIE	
CNS(=O)(=O)N(CCCN)CCOC	160177697	AAHBIYFGXQDYOT-UHFFFAOYSA-N	225.314	-1.252	70	10	BAIE	
CC1(NS(=O)(=O)F)CS(=O)(=O)C1	1953505354	ZAKSRCSXHXZPCO-UHFFFAOYSA-N	217.243	-1.023	70	10	BAIE	
CC[C@@H](N)CNS(=O)(=O)NCCOC	161300337	FBVVFCNBLUIFTF-SSDOTTSWSA-N	225.314	-1.206	70	10	BAIE	
NC[C@@H]1CN(C[C@@H]2CNC(=O)O2)CCO1	159508363	YUUUMNSEESIDIT-SFYZADRCSA-N	215.253	-1.246	70	10	BAIE	
CC[C@H](C)[C@@H](N)C(=O)NOCC(N)=O	159606193	RAVYVERITGQCRK-CAHLUQPWSA-N	203.242	-1.107	70	10	BAIE	
CC(C)OC[C@H](O)CNOCC(N)=O	160344592	COFNUPOUBHUFHF-SSDOTTSWSA-N	206.242	-1.221	70	10	BAIE	
OC[C@@H]1[C@@H](O)[C@@H](O)CN1C[B-](F)(F)F	1877845544	PDBCFKBIKKLHDI-NGJCXOISSA-N	213.972	-1.229	70	10	BAIE	
CNCCCN1C(=O)[C@H]2C[C@H]1CS2(=O)=O	216852118	ZBYNMWONIWISHM-JGVFFNPUSA-N	232.305	-1.006	70	10	BAIE	
NC(=O)CON[C@@H]1CCCNC(=O)C1	160328068	PWXGIPDIAPYMRI-ZCFIWIBFSA-N	201.226	-1.338	70	10	BAIE	
CCNS(=O)(=O)NCc1cnn(C)c1N	160920149	SLEGVLNEULESDC-UHFFFAOYSA-N	233.297	-1.054	70	10	BAIE	
COCCNC(=O)CNC1CC(N)C1	161199660	LZARNXSKISEPEV-UHFFFAOYSA-N	201.270	-1.172	70	10	BAIE	
COCCNC(=O)N1CCN(CCO)CC1	217307250	ONTFWNBYVLOYMJ-UHFFFAOYSA-N	231.296	-1.048	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)N[C@@H](CC)CO	160056448	ICMGSRWHCOAECU-NKWVEPMBSA-N	218.253	-1.236	70	10	BAIE	
NC(=S)CNS(=O)(=O)NC1CC1	160547847	NWFOYIPHJACJIV-UHFFFAOYSA-N	209.296	-1.141	70	10	BAIE	
CC[C@H](C)/C([SiH3])=C(\[SiH3])[C@@H](N)CN	238308173	KQRIKNIHJACELP-PNWKWMBTSA-N	202.450	-1.739	70	10	BAIE	
CC(=O)N[C@@H]1CN(C(C)C)[C@@H](CO)[C@H]1O	216774554	ABNNAQMHDGVRCV-UTLUCORTSA-N	216.281	-1.063	70	10	BAIE	
CC(C)NS(=O)(=O)N1CCNC[C@H]1CN	160190516	DMSYRLYDBFPYEC-MRVPVSSYSA-N	236.341	-1.538	70	10	BAIE	
CC[C@H](CCO)NC(=O)[C@H]1C[C@@H](O)CN1	217938778	PJHFNRKDTNSYEI-IWSPIJDZSA-N	216.281	-1.014	70	10	BAIE	
CN1CCNC[C@H]1CNS(=O)(=O)F	2241921299	UXRJQNLYJLJDFJ-LURJTMIESA-N	211.262	-1.306	70	10	BAIE	
N[C@@H]1CN(S(=O)(=O)F)CC[C@@H]1CO	2241921295	UXMPFJYDDJKQAT-PHDIDXHHSA-N	212.246	-1.158	70	10	BAIE	
O=C(CN1CC[C@H](CCO)C1)NCCO	159743239	RKXYULHNFOGSMM-SECBINFHSA-N	216.281	-1.201	70	10	BAIE	
COCCN(CCN)S(=O)(=O)NC1CC1	161078940	NYXDVCGTFMDLBX-UHFFFAOYSA-N	237.325	-1.110	70	10	BAIE	
NCCN1CCN(S(=O)(=O)F)CC1	2241918085	GCLGWHFSLFUEIY-UHFFFAOYSA-N	211.262	-1.223	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NC[C@@H](C)CO	160110919	ATGAIIDMFRQYHV-RNFRBKRXSA-N	218.253	-1.379	70	10	BAIE	
CC(C)(C)[C@H](N)C(=O)NOCC(N)=O	160348983	SWQFCJDTIISRKR-ZCFIWIBFSA-N	203.242	-1.107	70	10	BAIE	
O=C(Cn1cnnn1)N1CC(S(=O)(=O)F)C1	1992825881	CIHZJBWREUFSBY-UHFFFAOYSA-N	249.227	-1.817	70	10	BAIE	
CNC1(C(N)=O)CN(S(=O)(=O)F)C1	2241919645	YGMDNCUNPIWMKU-UHFFFAOYSA-N	211.218	-2.040	70	10	BAIE	
O=C1C[C@@H](C(=O)NC[C@H](O)CO)NC(=O)N1	218213524	MNUTZTKBWYHSEK-WHFBIAKZSA-N	231.208	-2.946	70	10	BAIE	
CNS(=O)(=O)N1CCC(OCCN)CC1	161074234	XPRFDGCJKUFOBO-UHFFFAOYSA-N	237.325	-1.110	70	10	BAIE	
OC[C@@H]1[C@@H](O)[C@H](O)CN1C[B-](F)(F)F	1883965123	PDBCFKBIKKLHDI-HSUXUTPPSA-N	213.972	-1.229	70	10	BAIE	
O=C(CC1CS(=O)(=O)C1)N1CCNCC1	216707892	GMQXBMCOBSBDHR-UHFFFAOYSA-N	232.305	-1.147	70	10	BAIE	
NC(=O)[C@@H]1C[C@@H](N)CN(S(=O)(=O)F)C1	2241915835	YBYOPJDZRWMKHW-RFZPGFLSSA-N	225.245	-1.665	70	10	BAIE	
CCCNS(=O)(=O)NC[C@H](N)[C@H](C)O	160885499	QKOKUCLTBROKKO-BQBZGAKWSA-N	225.314	-1.472	70	10	BAIE	
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COCNC(=O)N1CCN(CCN)CC1	217310259	SREDDHNDZPYWKW-UHFFFAOYSA-N	216.285	-1.124	70	10	BAIE	
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COCCNS(=O)(=O)N1CCC[C@@H]1CN	161173846	VUJXLXKLSPOVMW-MRVPVSSYSA-N	237.325	-1.110	70	10	BAIE	
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CN(C)S(=O)(=O)N1CC(n2ccnn2)C1	217714158	DSANLODQEAKHPW-UHFFFAOYSA-N	231.281	-1.059	70	10	BAIE	
NC(=O)C1(CNS(=O)(=O)F)CNC1	2241919773	ZTYZWGRMUQMNKT-UHFFFAOYSA-N	211.218	-2.135	70	10	BAIE	
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CN1CCO[C@H](CN2C[C@@H](N)CC2=O)C1	217795821	HTYINSRUTAULGI-IUCAKERBSA-N	213.281	-1.123	70	10	BAIE	
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COCCNS(=O)(=O)N[C@H](C)C(N)=S	161224637	WJDFCTYHHAAQCL-RXMQYKEDSA-N	241.338	-1.269	70	10	BAIE	
CN1CCO[C@H](CN2C[C@@H](O)CC2=O)C1	217803410	VFZYODSZVRJOGF-IUCAKERBSA-N	214.265	-1.090	70	10	BAIE	
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CCN(C)C(=O)CN[C@H]1COC[C@H]1O	218168588	VYAHNORAFNPGCC-JGVFFNPUSA-N	202.254	-1.186	70	10	BAIE	
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CN1CCN[C@@H](CNS(=O)(=O)F)C1	2241919306	SVJZSPNFLUBLBS-LURJTMIESA-N	211.262	-1.306	70	10	BAIE	
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C[C@H](NOCC(N)=O)C(=O)NC(N)=O	160344869	NOOQNYBXDBXYRH-VKHMYHEASA-N	204.186	-2.424	70	10	BAIE	
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CN(Cc1nnn(C)n1)S(=O)(=O)F	1883718049	OTOIGMZPLICHAT-UHFFFAOYSA-N	209.206	-1.144	70	10	BAIE	
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CC[C@H](NS(=O)(=O)NCCOC)C(=N)N	161350117	QLALSHDQPOATON-LURJTMIESA-N	238.313	-1.229	70	10	BAIE	
COC(=O)C1(NS(=O)(=O)F)CNC1	2241915750	XBAZAKNQCNDBAX-UHFFFAOYSA-N	212.202	-1.695	70	10	BAIE	
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COCCNS(=O)(=O)N1CC[C@H](O)C1	161250408	QNAPKGBRJMZYBL-ZETCQYMHSA-N	224.282	-1.466	70	10	BAIE	
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CCOC(=O)[C@@H](N)C(=O)NOCC(N)=O	160132002	NEJBZBYJAMARAL-YFKPBYRVSA-N	219.197	-2.590	70	10	BAIE	
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C[C@H]1CN(CC[C@@H](N)C(N)=O)CCN1C	216625791	AOVQHRUCXLVTNX-DTWKUNHWSA-N	214.313	-1.175	70	10	BAIE	
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C[C@@H](CNCCN)N(C)[C@H](N)CCO	217707441	KJWCSVHAYUAWCD-IUCAKERBSA-N	204.318	-1.478	70	10	BAIE	
COCCNC(=O)CNC(=O)N[C@@H]1CCOC1	159385877	HPENWPITQLJLNR-MRVPVSSYSA-N	245.279	-1.163	70	10	BAIE	
OCCOC1CCN(C[C@@H](O)CO)CC1	160371529	OJNLAXIZAUCGFU-SECBINFHSA-N	219.281	-1.187	70	10	BAIE	
NC[C@H]1COCCN1S(=O)(=O)NC1CC1	161093718	MAXLBBXBGRCLRA-QMMMGPOBSA-N	235.309	-1.357	70	10	BAIE	
CC[C@@H](CO)NS(=O)(=O)NCCOC	161240848	SOYPNCVGVBGUSA-ZETCQYMHSA-N	226.298	-1.172	70	10	BAIE	
COCCNS(=O)(=O)NCC1CC(O)C1	161258101	WPDZNNXSVMOGDC-UHFFFAOYSA-N	238.309	-1.172	70	10	BAIE	
COC[C@@H](O)CN(C)C(=O)[C@@H]1C[C@@H](O)CN1	218035254	JGGAGXONEHFNMY-VGMNWLOBSA-N	232.280	-1.825	70	10	BAIE	
CCN(C)C(=O)CN[C@H]1COC[C@@H]1O	218168432	VYAHNORAFNPGCC-YUMQZZPRSA-N	202.254	-1.186	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)NC[C@H](O)CO	160115493	KCUJIKKBKOHZBI-WDSKDSINSA-N	220.225	-2.654	70	10	BAIE	
NC(=O)CONC[C@@H](O)C(F)(F)F	160343067	OHBRZUBWTYMRNL-GSVOUGTGSA-N	202.132	-1.084	70	10	BAIE	
NC(=O)CONC(=O)[C@@H]1CNCCO1	160352150	XFZMWZIGTUOUOH-YFKPBYRVSA-N	203.198	-2.492	70	10	BAIE	
CNCCNS(=O)(=O)NCCOC	161295419	XVKDVGUNRDUVQV-UHFFFAOYSA-N	211.287	-1.724	70	10	BAIE	
CNC(=O)[C@H]1CNCCN1S(=O)(=O)F	2241919170	QRPOHJQYWKHWFS-RXMQYKEDSA-N	225.245	-1.780	70	10	BAIE	
C[C@H]1CNC[C@H]1C(=O)NOCC(N)=O	159604467	GXNVETUTVUFTTC-NTSWFWBYSA-N	201.226	-1.625	70	10	BAIE	
NC(=O)CONC(=O)[C@@H]1COC[C@@H]1N	160362080	KPHNVCJRSXBUJY-UHNVWZDZSA-N	203.198	-2.507	70	10	BAIE	
O=S(=O)(NC1CC1)N1CCOC[C@@H]1CO	160754696	JQFKSRNUZJEPGD-QMMMGPOBSA-N	236.293	-1.324	70	10	BAIE	
CNS(=O)(=O)N(C)C[C@@H](N)COC	161045454	ZQQJFRISKLICSE-ZCFIWIBFSA-N	211.287	-1.644	70	10	BAIE	
C[C@@H](NC(=O)[C@H]1C[C@@H](O)CN1)c1nncn1C	217816053	NSHMZBSKJCVXEM-BWZBUEFSSA-N	239.279	-1.285	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NC[C@@H](O)CC	160149164	RPXOHCWOUDWRTH-NKWVEPMBSA-N	218.253	-1.236	70	10	BAIE	
CCCNS(=O)(=O)NC[C@H](O)CO	160714267	HUAOXGAMNSQXCP-LURJTMIESA-N	212.271	-1.826	70	10	BAIE	
COCCNS(=O)(=O)N1CCC[C@H]1CN	161173975	VUJXLXKLSPOVMW-QMMMGPOBSA-N	237.325	-1.110	70	10	BAIE	
COCCNS(=O)(=O)N(C)[C@@H](C)CO	161266902	JOJCIGPELCGNQV-ZETCQYMHSA-N	226.298	-1.220	70	10	BAIE	
O=S(=O)(F)N1C[C@@H]2CN[C@H](CO)[C@H]2C1	2241915923	ZMLOKNQDZBOLRU-LYFYHCNISA-N	224.257	-1.287	70	10	BAIE	
COCCNS(=O)(=O)N[C@@H]1CCC[C@H]1N	161298328	GBIDYFCYCBYAJP-HTQZYQBOSA-N	237.325	-1.063	70	10	BAIE	
CNS(=O)(=O)N(C)C[C@@H](O)COC	160670919	PUDOROPUEBHYAX-ZCFIWIBFSA-N	212.271	-1.610	70	10	BAIE	
CCNS(=O)(=O)N(C)C[C@@H]1CNCCO1	160934757	HUDCQVTVIBLDIN-QMMMGPOBSA-N	237.325	-1.239	70	10	BAIE	
COC(OC)[C@@]([SiH3])(NCCN)C(C)C	396027877	CFSYIAABANJDOL-SECBINFHSA-N	220.389	-1.129	70	10	BAIE	
CC(C)NS(=O)(=O)NC[C@@H](N)[C@@H](C)O	160887578	SSTOBVHGJMKGLV-RNFRBKRXSA-N	225.314	-1.473	70	10	BAIE	
O=S(=O)(F)N[C@@H]1CO[C@H]2CNC[C@H]12	2241920650	MGKRWEGGMKGRFA-PBXRRBTRSA-N	210.230	-1.223	70	10	BAIE	
COC[C@H](C)NC(=O)Cn1c(=O)cc[nH]c1=O	218677482	QBNUHIIGPGJUBQ-ZETCQYMHSA-N	241.247	-1.312	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)N[C@H](C)CCO	160129825	PIPZSMTYSYSXPK-RQJHMYQMSA-N	218.253	-1.236	70	10	BAIE	
CC[C@@H](C)NCC(=O)NOCC(N)=O	160350930	IUHMCSPDSAIWDX-ZCFIWIBFSA-N	203.242	-1.092	70	10	BAIE	
CC(C)(C)NS(=O)(=O)NC[C@H](O)CO	160712886	KSGYABCCRSZQQO-LURJTMIESA-N	226.298	-1.438	70	10	BAIE	
CC(C)(C)NS(=O)(=O)NC[C@](C)(O)CO	160714801	CVTCSPQCULXTAF-QMMMGPOBSA-N	240.325	-1.048	70	10	BAIE	
O=C(O)C1(NS(=O)(=O)F)CCNCC1	1893560827	GERGINMHOLXLMK-UHFFFAOYSA-N	226.229	-1.003	70	10	BAIE	
CC(C)NC(=O)CCNOCC(N)=O	160335478	SCBJJTBIGHOYCV-UHFFFAOYSA-N	203.242	-1.092	70	10	BAIE	
CN1CCO[C@H](Cn2ncn(C)c2=O)C1	160746713	WTUZDVWYORMXPZ-QMMMGPOBSA-N	212.253	-1.088	70	10	BAIE	
CO[C@H]1CNC[C@H]1NS(=O)(=O)NC(C)C	160810522	ONZSYSZBBDWJLN-SFYZADRCSA-N	237.325	-1.194	70	10	BAIE	
O=S(=O)(F)NC[C@H]1CN[C@H]2CCN1C2	1891690544	KADGSFLCJNZUFT-NKWVEPMBSA-N	223.273	-1.164	70	10	BAIE	
NCCC[C@@H](NS(=O)(=O)F)C(=O)O	2241915173	OBYSQWQOFUXMKQ-SCSAIBSYSA-N	214.218	-1.018	70	10	BAIE	
CNS(=O)(=O)NC1CCN(CCN)CC1	160179243	HXBNZVCNSDYZMU-UHFFFAOYSA-N	236.341	-1.537	70	10	BAIE	
Cn1cnn(CCS(=O)(=O)F)c1=O	883953628	CXNWDCJEISXLTR-UHFFFAOYSA-N	209.202	-1.119	70	10	BAIE	
COC(=O)NS(=O)(=O)N1CCN[C@@H](C)C1	159572055	GNJOGBWBMTZKSD-LURJTMIESA-N	237.281	-1.119	70	10	BAIE	
COCCNS(=O)(=O)NC1(CO)CC1	161272922	XSOGDXKCMVLCTP-UHFFFAOYSA-N	224.282	-1.418	70	10	BAIE	
CN1CCN(S(=O)(=O)F)[C@@H](CN)C1	2241914705	IGGUZZQICSJPEU-LURJTMIESA-N	211.262	-1.225	70	10	BAIE	
O=C(NC1CCNCC1)C1CS(=O)(=O)C1	216707966	NYNCFYUOBGWMTP-UHFFFAOYSA-N	232.305	-1.101	70	10	BAIE	
NC[C@H]1COCCN1CC(=O)NC1CC1	159550857	SSUTZZZOBLPGOT-VIFPVBQESA-N	213.281	-1.076	70	10	BAIE	
CCCNS(=O)(=O)N(C)[C@@H]1CNC[C@H]1O	160818934	MWPCVPXBXLBFMV-HTQZYQBOSA-N	237.325	-1.505	70	10	BAIE	
CC[C@@H](NS(=O)(=O)NCCOC)C(=N)N	161350257	QLALSHDQPOATON-ZCFIWIBFSA-N	238.313	-1.229	70	10	BAIE	
NC(=O)CONC(=O)[C@@H]1CSCN1	160354005	WEOMIYRSMVIJDP-BYPYZUCNSA-N	205.239	-1.818	70	10	BAIE	
NC(=O)CONC(=O)[C@H]1COCCN1	160360723	GGRYFEMYZDKBTO-RXMQYKEDSA-N	203.198	-2.492	70	10	BAIE	
NC(=O)CO[C@@H]1CCN(S(=O)(=O)F)C1	1955505642	XCXXAPPBGHKCII-RXMQYKEDSA-N	226.229	-1.223	70	10	BAIE	
CC(C)[C@H](CN)C(=O)NOCC(N)=O	160355281	IFWKXGGGXBWDPN-LURJTMIESA-N	203.242	-1.250	70	10	BAIE	
O=S(=O)(F)NC[C@]1(O)CCCNC1	2241919953	CFABDNAVVIMFLT-LURJTMIESA-N	212.246	-1.095	70	10	BAIE	
COC(=O)[C@H](O)CNC(=O)c1cnsn1	217710218	MWUIQSLXNZJRGS-RXMQYKEDSA-N	231.233	-1.198	70	10	BAIE	
O=S(=O)(Cl)c1n[nH]c(Cn2cnnn2)n1	1928685735	UNRKKMLKLHMQBD-UHFFFAOYSA-N	249.643	-1.233	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)NC(CO)CO	160112329	KRQSQIMRJKLKII-LURJTMIESA-N	220.225	-2.654	70	10	BAIE	
CC[C@H](C)NCC(=O)NOCC(N)=O	160351034	IUHMCSPDSAIWDX-LURJTMIESA-N	203.242	-1.092	70	10	BAIE	
COCCNS(=O)(=O)N[C@@H](C)CC(=N)N	161346238	SBJJXBFNRFKFJD-LURJTMIESA-N	238.313	-1.229	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NC1(CO)CC1	160158392	XIEWGLUTDFDQGI-ZCFIWIBFSA-N	216.237	-1.482	70	10	BAIE	
CCNS(=O)(=O)N1CCNC[C@@H]1C(N)=O	160895317	JGIYQTRYTKRGPU-ZCFIWIBFSA-N	236.297	-2.400	70	10	BAIE	
COCCNS(=O)(=O)NCC[C@@H](C)N	161297581	PZTDMWZHNXYHCA-SSDOTTSWSA-N	225.314	-1.206	70	10	BAIE	
NC(=O)CONCCN1CCNC1=O	160332755	KTVAKUGBNWMUFD-UHFFFAOYSA-N	202.214	-1.982	70	10	BAIE	
Cn1ncc(C(=O)N2CC(S(=O)(=O)F)C2)n1	1968216104	SOIRCHZBEFLZAE-UHFFFAOYSA-N	248.239	-1.061	70	10	BAIE	
CC[C@H](C)NC(=O)CNOCC(N)=O	160323277	DISSHEPCKVVWFV-LURJTMIESA-N	203.242	-1.092	70	10	BAIE	
CN(C)CCN1CCN(S(N)(=O)=O)CC1	160903562	RWYDZQWAKQXPGL-UHFFFAOYSA-N	236.341	-1.631	70	10	BAIE	
CC(C)CNS(=O)(=O)NC(C)(CO)CO	161264478	UVSZTBKNDQEYKV-UHFFFAOYSA-N	240.325	-1.190	70	10	BAIE	
NC(=O)CONC(=O)[C@@H]1CCCNC1	160355394	BGSXABVFSCEFAY-ZCFIWIBFSA-N	201.226	-1.481	70	10	BAIE	
C[C@H](O)C(=O)N1CC(S(=O)(=O)F)C1	1883852417	YVIFVLQWEKQCHU-BYPYZUCNSA-N	211.214	-1.123	70	10	BAIE	
C[C@@H](NOCC(N)=O)C(=O)NC1CC1	160334095	SFQFLDYEIDJFMP-RXMQYKEDSA-N	201.226	-1.340	70	10	BAIE	
CC[C@H](CN)CC(=O)NOCC(N)=O	160350686	IFJUFQNYZYPJLP-LURJTMIESA-N	203.242	-1.106	70	10	BAIE	
CNS(=O)(=O)NCCNC[C@@H](C)O	160965962	CFKXRJNJNUWMKG-ZCFIWIBFSA-N	211.287	-1.989	70	10	BAIE	
CNS(=O)(=O)N1CCN(C2CNC2)CC1	160905107	OCGOSLHJHZRMQW-UHFFFAOYSA-N	234.325	-1.960	70	10	BAIE	
NCC[C@H](C(N)=O)C(=O)[C@H]1CCC(=O)N1	217868684	GOUUUUODJNNJAL-NTSWFWBYSA-N	213.237	-1.716	70	10	BAIE	
NCC(CO)(CO)NS(=O)(=O)F	2241915247	PEHLPQUYAKMVPD-UHFFFAOYSA-N	202.207	-2.528	70	10	BAIE	
CN1CCO[C@@H](CN2CC[C@@H](N)C2=O)C1	217782451	QVTNRQWTDWVQST-RKDXNWHRSA-N	213.281	-1.123	70	10	BAIE	
CN1CCO[C@H](CN2CC[C@@H](N)C2=O)C1	217782542	QVTNRQWTDWVQST-DTWKUNHWSA-N	213.281	-1.123	70	10	BAIE	
CC(CO)(CO)NS(=O)(=O)NC1CC1	160726812	LMRFNFVHYMTSPI-UHFFFAOYSA-N	224.282	-1.684	70	10	BAIE	
CC[C@H](N)CNS(=O)(=O)NCCOC	161300242	FBVVFCNBLUIFTF-ZETCQYMHSA-N	225.314	-1.206	70	10	BAIE	
O=S(=O)(F)N1CCN[C@H](CCO)C1	2241914597	GTFHBUKPTWTBDT-ZCFIWIBFSA-N	212.246	-1.143	70	10	BAIE	
NC[C@@H]1COCCN1S(=O)(=O)NC1CC1	161093835	MAXLBBXBGRCLRA-MRVPVSSYSA-N	235.309	-1.357	70	10	BAIE	
O=S(=O)(F)N[C@H]1CCNC[C@@H]1CO	2241921149	SHJADXHCSQYITH-RITPCOANSA-N	212.246	-1.239	70	10	BAIE	
NC[C@H]1COCCN1[C@@H]1CCS(=O)(=O)C1	159556106	LPUQFYCULZHPNT-BDAKNGLRSA-N	234.321	-1.167	70	10	BAIE	
O=S(=O)(F)N1C[C@@H]2CN[C@H](CO)[C@@H]2C1	2241915924	ZMLOKNQDZBOLRU-RRKCRQDMSA-N	224.257	-1.287	70	10	BAIE	
CC(C)C[C@@H](N)C(=O)NOCC(N)=O	159605193	DWIUNHCVGPOJLI-ZCFIWIBFSA-N	203.242	-1.107	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)NC[C@H](O)CC	160149027	RPXOHCWOUDWRTH-RQJHMYQMSA-N	218.253	-1.236	70	10	BAIE	
CCNS(=O)(=O)N(C)C[C@]1(O)CCNC1	160267562	QNESVCKWLCNCFX-QMMMGPOBSA-N	237.325	-1.503	70	10	BAIE	
CCOC(=O)[C@H](C)NC(=O)[C@H](N)CO	218419001	FUYMBTFBSZRALA-NTSWFWBYSA-N	204.226	-1.626	70	10	BAIE	
CC(C)NS(=O)(=O)NC[C@@](C)(O)CO	160715704	KNZQWNFWBFPQTJ-SSDOTTSWSA-N	226.298	-1.438	70	10	BAIE	
CC[C@](C)(CN)C(=O)NOCC(N)=O	160356383	SBKLQSDHXOWTJQ-MRVPVSSYSA-N	203.242	-1.106	70	10	BAIE	
NC(=O)CONC(=O)[C@H]1COC[C@@H]1N	160361981	KPHNVCJRSXBUJY-WHFBIAKZSA-N	203.198	-2.507	70	10	BAIE	
COCCNS(=O)(=O)N(C)[C@@H]1CCNC1	161181159	YYSHGPAJZGDUDJ-MRVPVSSYSA-N	237.325	-1.239	70	10	BAIE	
NS(=O)(=O)N[C@@H]1CCN(S(=O)(=O)F)C1	2241915755	XEEHBKNKGBVOTI-SCSAIBSYSA-N	247.273	-1.932	70	10	BAIE	
CCN(CCO)S(=O)(=O)NCCOC	161244182	XLPVQCSMYBCKFZ-UHFFFAOYSA-N	226.298	-1.219	70	10	BAIE	
CNS(=O)(=O)NC1(CN)CCN(C)CC1	160122897	NTAIDVRKAIRIHK-UHFFFAOYSA-N	236.341	-1.537	70	10	BAIE	
COCCNC(=O)CNOCC(N)=O	160342510	GUQQYNWESVPPPQ-UHFFFAOYSA-N	205.214	-2.245	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)NCCCN	160079384	KXCPMTULFGDENT-LURJTMIESA-N	203.242	-1.658	70	10	BAIE	
COCCNS(=O)(=O)NC[C@H](C)N	161299851	PCCCDXXWPZJSSL-LURJTMIESA-N	211.287	-1.596	70	10	BAIE	
NCCCN(CCO)S(=O)(=O)F	2241914624	HERNWOIDYZVGKZ-UHFFFAOYSA-N	200.235	-1.156	70	10	BAIE	
CC(C)NS(=O)(=O)NC[C@H](N)[C@H](C)O	160887690	SSTOBVHGJMKGLV-BQBZGAKWSA-N	225.314	-1.473	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NC[C@H](O)CC	160149315	RPXOHCWOUDWRTH-RNFRBKRXSA-N	218.253	-1.236	70	10	BAIE	
NC[C@H]1CNCCN1S(=O)(=O)NC1CC1	160191810	UVRKQVPXDMOBSQ-QMMMGPOBSA-N	234.325	-1.784	70	10	BAIE	
CN[C@H]1CCN(S(=O)(=O)NCCOC)C1	161311101	YYCXUQNXUBOLBZ-QMMMGPOBSA-N	237.325	-1.239	70	10	BAIE	
COCCNS(=O)(=O)N[C@H](C)C(=N)N	161352924	NOHAWZBHZFOTOD-RXMQYKEDSA-N	224.286	-1.619	70	10	BAIE	
CC(C)(C)[C@@H](N)C(=O)NOCC(N)=O	160357971	SWQFCJDTIISRKR-LURJTMIESA-N	203.242	-1.107	70	10	BAIE	
CO[C@@]1(CNC(=O)c2n[nH]c(N)n2)CCOC1	160404781	OVVOVCVBFPZBQC-SECBINFHSA-N	241.251	-1.078	70	10	BAIE	
COCCNS(=O)(=O)N(C)C[C@@H](C)N	161331451	AGGQOKCCKDUVBH-SSDOTTSWSA-N	225.314	-1.254	70	10	BAIE	
NC[C@H](O)Cn1c(=O)[nH]c2c(N)ncnc21	218679213	SUCZLVLEJHPDDR-BYPYZUCNSA-N	224.224	-1.979	70	10	BAIE	
COCCNS(=O)(=O)NCC(=N)N	161347670	SSDWKUZYHJUHGU-UHFFFAOYSA-N	210.259	-2.007	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)N(CC)CCO	160068785	YSJVKOUSHPPMTQ-SSDOTTSWSA-N	218.253	-1.282	70	10	BAIE	
CC[C@H](CCO)N[C@H](CN)CC(N)=O	217772964	DJWSCAVTMWGLPG-SFYZADRCSA-N	203.286	-1.060	70	10	BAIE	
NC(=O)C1(NS(=O)(=O)F)CCNCC1	2241917745	CTHCBXOQHIWOTJ-UHFFFAOYSA-N	225.245	-1.602	70	10	BAIE	
O=S(=O)(NCCO)NCC(F)(F)F	160657800	JPIDLSWAKLRIRE-UHFFFAOYSA-N	222.188	-1.035	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)NCC[C@@H](C)O	160109924	YPKFUXNFFXZZNC-RQJHMYQMSA-N	218.253	-1.236	70	10	BAIE	
CNS(=O)(=O)N1CCCN(CCN)CC1	160130195	ULLLXMZSSHHDSP-UHFFFAOYSA-N	236.341	-1.583	70	10	BAIE	
CC[C@H](CCO)N[C@H]1CS(=O)(=O)C[C@@H]1O	217836112	KNEYNNCXFBTZIK-VGMNWLOBSA-N	237.321	-1.105	70	10	BAIE	
CNS(=O)(=O)N(C)C[C@H](O)COC	160670790	PUDOROPUEBHYAX-LURJTMIESA-N	212.271	-1.610	70	10	BAIE	
O=C(CS(=O)(=O)C1CC1)N1CCNCC1	216708760	UCVIYWCDKCLCSP-UHFFFAOYSA-N	232.305	-1.005	70	10	BAIE	
NS(=O)(=O)NC1CN(S(=O)(=O)F)C1	1972950102	QTDGJDDZMVUNFY-UHFFFAOYSA-N	233.246	-2.322	70	10	BAIE	
CC(C)CNS(=O)(=O)N1CCNC(=O)C1	161280718	JHGYGQXYPJFOAV-UHFFFAOYSA-N	235.309	-1.091	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NC[C@H](C)CO	160111163	ATGAIIDMFRQYHV-NKWVEPMBSA-N	218.253	-1.379	70	10	BAIE	
NC[C@@H]([C@@H]1CCS(=O)(=O)C1)N1CCNCC1	217586825	LONVWUJUFFTXNT-ZJUUUORDSA-N	247.364	-1.346	70	10	BAIE	
O=S(=O)(CCO)N1CC[C@H](CO)C1	159406474	IMRBJCVVIGIVTG-ZETCQYMHSA-N	209.267	-1.377	70	10	BAIE	
O=c1[nH]nc(NCCn2ccnn2)c(=O)[nH]1	159625377	FZCGRQOJGCBRBX-UHFFFAOYSA-N	223.196	-1.838	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NC(CO)CO	160112188	KRQSQIMRJKLKII-ZCFIWIBFSA-N	220.225	-2.654	70	10	BAIE	
C[C@@]1(C(=O)NOCC(N)=O)CCCN1	159607317	MOTNSMBMUMHDHU-QMMMGPOBSA-N	201.226	-1.338	70	10	BAIE	
CC(C)CNS(=O)(=O)NCC(N)=O	161208369	JXNSELLZMCAAAK-UHFFFAOYSA-N	209.271	-1.448	70	10	BAIE	
COCCNS(=O)(=O)NC[C@@](C)(O)CO	161259913	OJEVNRKNVVHZIK-SSDOTTSWSA-N	242.297	-2.200	70	10	BAIE	
C[C@@H]1CNC[C@@H]1C(=O)NOCC(N)=O	159604105	GXNVETUTVUFTTC-RITPCOANSA-N	201.226	-1.625	70	10	BAIE	
COCCNS(=O)(=O)NC[C@H](N)[C@@H](C)O	161304484	GLLTYEWNGYTQLC-RQJHMYQMSA-N	241.313	-2.235	70	10	BAIE	
CC(C)NS(=O)(=O)N1CCOC[C@H]1CN	161093580	ZKJLMGAXQWJWLE-MRVPVSSYSA-N	237.325	-1.111	70	10	BAIE	
C[C@](O)(CO)CNC(=O)[C@@H]1CC(=O)NC(=O)N1	218153468	RGZHTBCJWMWECI-SSDLBLMSSA-N	245.235	-2.556	70	10	BAIE	
CCOC(=O)NS(=O)(=O)NCCCN	160096995	OTXFCMCQSMFZKW-UHFFFAOYSA-N	225.270	-1.084	70	10	BAIE	
NC[C@H]([C@H]1CCS(=O)(=O)C1)N1CCNCC1	217586754	LONVWUJUFFTXNT-VHSXEESVSA-N	247.364	-1.346	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)N(C)[C@H](C)CO	160134105	FEUUZWOCPVEFMH-RQJHMYQMSA-N	218.253	-1.284	70	10	BAIE	
NC(=O)CON[C@H]1CCCCNC1=O	160331931	FXXXSHWEBMPJSU-LURJTMIESA-N	201.226	-1.338	70	10	BAIE	
CCNS(=O)(=O)N1CC(=O)NC(=O)[C@@H]1C	160792111	DAMVAWOFLAXSEF-YFKPBYRVSA-N	235.265	-1.812	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)N[C@H](C)C(N)=O	160060288	OVVKNAKANBJVNJ-RFZPGFLSSA-N	217.225	-2.133	70	10	BAIE	
CC(C)CNS(=O)(=O)NC[C@@H](N)[C@@H](C)O	161303710	UXEZSGGPBBDFOR-HTQZYQBOSA-N	239.341	-1.226	70	10	BAIE	
COCCNS(=O)(=O)N[C@H](C)CCO	161264781	NCYWGMMHGAGHEZ-SSDOTTSWSA-N	226.298	-1.172	70	10	BAIE	
CCNC(=O)CN1CCOC[C@@H]1CN	159552328	BONCGHZVEYDNRS-QMMMGPOBSA-N	201.270	-1.218	70	10	BAIE	
C[C@@H]1CNC[C@H]1C(=O)NOCC(N)=O	159604361	GXNVETUTVUFTTC-PHDIDXHHSA-N	201.226	-1.625	70	10	BAIE	
COCCNS(=O)(=O)NC(C)(C)CN	161164424	JLLVNXPGCCNOHA-UHFFFAOYSA-N	225.314	-1.206	70	10	BAIE	
O=S(=O)(F)N1C[C@@H](O)CC12CNC2	2241919960	CIBNXQNFSCPPDG-YFKPBYRVSA-N	210.230	-1.391	70	10	BAIE	
CC(C)CNS(=O)(=O)NC[C@@H](N)[C@H](C)O	161303982	UXEZSGGPBBDFOR-JGVFFNPUSA-N	239.341	-1.226	70	10	BAIE	
COCCNS(=O)(=O)NC[C@@H]1CCNC1	161309931	OVHKIKFAPNNYBJ-MRVPVSSYSA-N	237.325	-1.334	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)N(C)C[C@@H](C)O	160091261	UJSXMWVRCAKGMD-RNFRBKRXSA-N	218.253	-1.284	70	10	BAIE	
CC(C)NS(=O)(=O)NOCC(N)=O	160458170	REWBKVOHGTUHMZ-UHFFFAOYSA-N	211.243	-1.764	70	10	BAIE	
CC[C@H](CO)NS(=O)(=O)NCCOC	161240946	SOYPNCVGVBGUSA-SSDOTTSWSA-N	226.298	-1.172	70	10	BAIE	
NC(=O)CONC(=O)C[C@@H]1CCCN1	160346704	KOMKPABXLJYJQC-LURJTMIESA-N	201.226	-1.338	70	10	BAIE	
CS(=O)(=O)[C@H]1CNC[C@H]1NS(=O)(=O)F	2241919792	AAPKQEWBQZYORD-UHNVWZDZSA-N	246.285	-1.825	70	10	BAIE	
C[C@H](O)[C@H](N)CNS(=O)(=O)NC(C)(C)C	160886345	FIIVDNMAGZTFQC-NKWVEPMBSA-N	239.341	-1.083	70	10	BAIE	
COCCNS(=O)(=O)N[C@@H]1CNC[C@H]1C	161183651	QXAKPPCIZOVHKI-HTQZYQBOSA-N	237.325	-1.335	70	10	BAIE	
CNS(=O)(=O)N1CCN(CCCN)CC1	160129058	HVKFRPOURJXOBV-UHFFFAOYSA-N	236.341	-1.583	70	10	BAIE	
COCNC(=O)N1CCN(CCO)CC1	217310279	CZRZUNGSTCVSGU-UHFFFAOYSA-N	217.269	-1.090	70	10	BAIE	
CS(=O)(=O)NC1CN(S(=O)(=O)F)C1	1954483946	CXIASWSLEXRTDN-UHFFFAOYSA-N	232.258	-1.566	70	10	BAIE	
Cn1cc(C(=O)N2CC(S(=O)(=O)F)C2)nn1	1992826169	HVEYLMDPVBZBLE-UHFFFAOYSA-N	248.239	-1.061	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)N1CC[C@@H](O)C1	160097073	SZAVDZPDYJFLRE-RNFRBKRXSA-N	216.237	-1.530	70	10	BAIE	
COCC(=O)NC[C@@H](O)Cn1ccccc1=O	218403264	VROHSLMYMARCRU-SECBINFHSA-N	240.259	-1.028	70	10	BAIE	
C[C@@H](O)CNCCNS(=O)(=O)NC1CC1	160966473	UDPDNJDBIQDINR-SSDOTTSWSA-N	237.325	-1.457	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NCCOC	160034324	CECWUBCZEOUUDC-ZCFIWIBFSA-N	204.226	-1.361	70	10	BAIE	
CCN(C)C(=O)CNC[C@H](N)C(N)=O	218339457	ALZYTUFTLJYSQZ-LURJTMIESA-N	202.258	-2.133	70	10	BAIE	
CCCNC(=O)[C@@H](C)NOCC(N)=O	160343468	GYFBZXNBMWQZQT-ZCFIWIBFSA-N	203.242	-1.092	70	10	BAIE	
N[C@H](CCNS(=O)(=O)F)C(=O)O	2241915104	NHKKBFDNZZACEP-GSVOUGTGSA-N	200.191	-1.408	70	10	BAIE	
CO[C@H]1CNC[C@@H]1NS(=O)(=O)NC1CC1	160810785	QORBPSYMTMCUSO-YUMQZZPRSA-N	235.309	-1.440	70	10	BAIE	
O=C([C@H]1C[C@@H](O)CN1)N1CCC[C@@H](CO)C1	218460843	GLSWTBFGMMYIEY-OPRDCNLKSA-N	228.292	-1.060	70	10	BAIE	
COCCS(=O)(=O)N1CCOC[C@@H]1CN	159538451	OEHFXJUMTXDHJY-QMMMGPOBSA-N	238.309	-1.378	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NC(C)(C)CO	160056712	QGZRECOJHDFCJX-ZCFIWIBFSA-N	218.253	-1.236	70	10	BAIE	
COC[C@@H](N)CN(C)S(=O)(=O)NC1CC1	161046428	WUWBAUNIKRUEGC-ZETCQYMHSA-N	237.325	-1.111	70	10	BAIE	
NC(=S)NNS(=O)(=O)NC1CC1	161153056	BQVPAYRQUHHSEX-UHFFFAOYSA-N	210.284	-1.679	70	10	BAIE	
NC[C@@H]1O[C@H](n2ccc(N)nc2=O)C[C@@H]1N	218303078	FELVNZNODKCEDO-HAFWLYHUSA-N	225.252	-1.601	70	10	BAIE	
CNS(=O)(=O)N1CC[C@@H](C(=O)OC)C1	160979557	NHMDUDNYTMTNDN-ZCFIWIBFSA-N	222.266	-1.055	70	10	BAIE	
NC[C@]1(CO)COCCN1S(=O)(=O)F	2241915567	UINNTHXMHFHOLF-LURJTMIESA-N	228.245	-1.777	70	10	BAIE	
O=S(=O)(F)NCC(F)(F)C1(O)CNC1	2242117683	IGJBEXYHMTYUEK-UHFFFAOYSA-N	234.199	-1.240	70	10	BAIE	
COCCNS(=O)(=O)NC[C@@H]1CCCN1	161295004	SDJVHHXNWPRZFG-QMMMGPOBSA-N	237.325	-1.191	70	10	BAIE	
CN(C(=O)CS(=O)(=O)C1CC1)C1CNC1	216708035	QFTIGFOZBNVZTL-UHFFFAOYSA-N	232.305	-1.006	70	10	BAIE	
O=C(O)c1cc(B(O)O)cc(S(=O)(=O)F)c1	1887515716	LJDDFGNPUIXWFW-UHFFFAOYSA-N	247.996	-1.277	70	10	BAIE	
Cn1ccc(C[C@@H](CS(C)(=O)=O)NN)n1	160412923	BGLSUTTVMZQBKS-QMMMGPOBSA-N	232.309	-1.161	70	10	BAIE	
NC(=O)[C@H]1C[C@H](N)CN(S(=O)(=O)F)C1	2241915837	YBYOPJDZRWMKHW-WHFBIAKZSA-N	225.245	-1.665	70	10	BAIE	
CNS(=O)(=O)NCc1cn[nH]c1N	160920573	MGFLOQOWHLRNCR-UHFFFAOYSA-N	205.243	-1.454	70	10	BAIE	
N#CCS(=O)(=O)N1CC(S(=O)(=O)F)C1	1897480827	GIFSCUOINUUCHJ-UHFFFAOYSA-N	242.253	-1.177	70	10	BAIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1cnn[nH]1	2243719605	FBBSRVJWXWCVQP-UHFFFAOYSA-N	249.227	-1.567	70	10	BAIE	
O=S(=O)(NC1CC1)N1CCOC[C@H]1CO	160754805	JQFKSRNUZJEPGD-MRVPVSSYSA-N	236.293	-1.324	70	10	BAIE	
CNS(=O)(=O)N1CC[C@H](C(=O)OC)C1	160979450	NHMDUDNYTMTNDN-LURJTMIESA-N	222.266	-1.055	70	10	BAIE	
N[C@@H]1[C@@H]2CCO[C@@H]2[C@@H]1NS(=O)(=O)F	2241918852	MOXWIPYXHRIULB-KCDKBNATSA-N	210.230	-1.095	70	10	BAIE	
COCCNS(=O)(=O)N1CCNC(=O)C1	161280838	JHGYBIBVOGWHSU-UHFFFAOYSA-N	237.281	-2.101	70	10	BAIE	
C[C@H](O)[C@@H]1CCN(C[C@H](N)C(N)=O)C1	159395478	RYRJBBJJAQEHQS-RNJXMRFFSA-N	201.270	-1.498	70	10	BAIE	
O=S(=O)(F)N1CCN[C@@H](CCO)C1	2241914596	GTFHBUKPTWTBDT-LURJTMIESA-N	212.246	-1.143	70	10	BAIE	
NC[C@@H]1COCCN1C(=O)c1c[nH]nn1	159510734	BZYSPKMGTTYSTE-ZCFIWIBFSA-N	211.225	-1.396	70	10	BAIE	
NC(=O)CONCCN1CCOCC1	160343768	HKAPLTATZLVAFN-UHFFFAOYSA-N	203.242	-1.675	70	10	BAIE	
NC(=O)CONC(=O)C[C@H]1CCNC1	160352918	NJAWWYPYTWXZCK-ZCFIWIBFSA-N	201.226	-1.481	70	10	BAIE	
CC(C)[C@@H](N)CNC(=O)[C@@H]1CC(=O)NC(=O)N1	216996984	JBVZRFJPTQQPMK-BQBZGAKWSA-N	242.279	-1.316	70	10	BAIE	
O=C(CO)N1CC[C@H](S(=O)(=O)F)C1	1882337192	XSOCDBSUGPACQG-YFKPBYRVSA-N	211.214	-1.121	70	10	BAIE	
C[C@@H](O)C(=O)N1CC(S(=O)(=O)F)C1	1883852418	YVIFVLQWEKQCHU-SCSAIBSYSA-N	211.214	-1.123	70	10	BAIE	
COCCNS(=O)(=O)N[C@@H]1CCNC1	161179852	OYEHSVVEKVFGBH-SSDOTTSWSA-N	223.298	-1.581	70	10	BAIE	
CNCCCN1C[C@H]2C[C@@H](C1=O)S2(=O)=O	216851933	ZYAIXCCUJHEQPP-SFYZADRCSA-N	232.305	-1.006	70	10	BAIE	
NC1=NC(=O)[C@@H](c2cn(CCO)nn2)O1	160715353	UQUSORCCHLHWDS-RXMQYKEDSA-N	211.181	-1.817	70	10	BAIE	
CCN(CCNC[C@@H](N)C(N)=O)C1CC1	218557656	MGZRYRUATUQPRK-SECBINFHSA-N	214.313	-1.127	70	10	BAIE	
O=C(Cn1cnnn1)NC1(CO)CCC1	161100926	YTZBZPDZQXDJAL-UHFFFAOYSA-N	211.225	-1.296	70	10	BAIE	
CCCNS(=O)(=O)N1CCNC[C@H]1CN	160190810	APJSWNODOXDCHG-MRVPVSSYSA-N	236.341	-1.537	70	10	BAIE	
NCC[C@@H](C(N)=O)C(=O)[C@H]1CCC(=O)N1	217868539	GOUUUUODJNNJAL-PHDIDXHHSA-N	213.237	-1.716	70	10	BAIE	
NC(=O)[C@H]1C(=O)NCCN1C[B-](F)(F)F	1886209075	XCGGSKPJGPOWTC-BYPYZUCNSA-N	223.971	-1.341	70	10	BAIE	
NC(=O)[C@@H]1C(=O)NCCN1C[B-](F)(F)F	1886209076	XCGGSKPJGPOWTC-SCSAIBSYSA-N	223.971	-1.341	70	10	BAIE	
NC[C@H]1COCCN1C(=O)c1c[nH]nn1	159510610	BZYSPKMGTTYSTE-LURJTMIESA-N	211.225	-1.396	70	10	BAIE	
COCCNS(=O)(=O)NC(C)(CO)CO	161264351	YMRFOFOLYCQVDH-UHFFFAOYSA-N	242.297	-2.200	70	10	BAIE	
COC[C@H](N)CN(C)S(=O)(=O)NC1CC1	161046547	WUWBAUNIKRUEGC-SSDOTTSWSA-N	237.325	-1.111	70	10	BAIE	
COCCNS(=O)(=O)N1CCNC[C@H]1C	161296968	HDBPDDDMOWJQSX-MRVPVSSYSA-N	237.325	-1.239	70	10	BAIE	
NC[C@H]([C@H]1CCCS1(=O)=O)N1CCNCC1	217586310	UOVCTPBVHMATJI-NXEZZACHSA-N	247.364	-1.204	70	10	BAIE	
C[C@@H](O)[C@H](N)c1nnc(S(=O)(=O)F)n1C	1615874295	KMIHNAPDHKMYPN-DMTCNVIQSA-N	238.244	-1.146	70	10	BAIE	
COCCNS(=O)(=O)NOCC(N)=O	161210158	XUFPEQOWZKTWKY-UHFFFAOYSA-N	227.242	-2.526	70	10	BAIE	
COCCNS(=O)(=O)NC[C@H](O)CO	161259402	NNQBQWQGQLOXNR-LURJTMIESA-N	228.270	-2.590	70	10	BAIE	
NC(=O)CON[C@@H]1CCCCNC1=O	160331797	FXXXSHWEBMPJSU-ZCFIWIBFSA-N	201.226	-1.338	70	10	BAIE	
CCCNS(=O)(=O)N1CCOC[C@H]1CO	160755094	XSPDIRDGPBJZKV-MRVPVSSYSA-N	238.309	-1.076	70	10	BAIE	
CCCNS(=O)(=O)NCCNC[C@H](C)O	160965485	WBFKGWYSIRTLIG-QMMMGPOBSA-N	239.341	-1.209	70	10	BAIE	
COCCNS(=O)(=O)N(C)CC(=N)N	161348423	PLGYCLWJYCBDEU-UHFFFAOYSA-N	224.286	-1.665	70	10	BAIE	
N[C@]1(C(=O)O)CCN(S(=O)(=O)F)C1	2241914358	CRQIGQKTEFFRTM-RXMQYKEDSA-N	212.202	-1.312	70	10	BAIE	
COCCNS(=O)(=O)N[C@@H](C)C(=N)N	161352802	NOHAWZBHZFOTOD-YFKPBYRVSA-N	224.286	-1.619	70	10	BAIE	
CNS(=O)(=O)N1CCCN(CCO)CC1	160685454	VMTQMXHHQGHPQH-UHFFFAOYSA-N	237.325	-1.549	70	10	BAIE	
O=S(=O)(NC[C@H](O)CO)NC1CC1	160713997	PHTLJUCKGWKBOU-LURJTMIESA-N	210.255	-2.074	70	10	BAIE	
CCNS(=O)(=O)NC[C@H](N)[C@@H](C)O	160888522	TZQBCGZTGWKDKQ-RITPCOANSA-N	211.287	-1.862	70	10	BAIE	
COCCNS(=O)(=O)NC[C@H](O)C1CC1	161251289	XXCDDMTWRXIVPE-QMMMGPOBSA-N	238.309	-1.172	70	10	BAIE	
CC(C)NS(=O)(=O)N1CCNC[C@@H]1CN	160190389	DMSYRLYDBFPYEC-QMMMGPOBSA-N	236.341	-1.538	70	10	BAIE	
NC(=O)CONC(=O)[C@H]1C[C@H](O)CN1	160357225	NPSKFBJKYWYVCZ-CRCLSJGQSA-N	203.198	-2.758	70	10	BAIE	
COCCNC(=O)CNC(=O)N[C@H]1CCOC1	159386003	HPENWPITQLJLNR-QMMMGPOBSA-N	245.279	-1.163	70	10	BAIE	
CNCCS(=O)(=O)Nc1ccc(=O)[nH]n1	161128954	WNHUDVLFJDRKST-UHFFFAOYSA-N	232.265	-1.269	70	10	BAIE	
COCCNS(=O)(=O)NC1(CN)CC1	161341266	RYHOOMXXGOOBNG-UHFFFAOYSA-N	223.298	-1.452	70	10	BAIE	
N[C@@]1(C(=O)O)CCN(S(=O)(=O)F)C1	2241914359	CRQIGQKTEFFRTM-YFKPBYRVSA-N	212.202	-1.312	70	10	BAIE	
COCCNS(=O)(=O)N1CC[C@@H](O)C1	161250553	QNAPKGBRJMZYBL-SSDOTTSWSA-N	224.282	-1.466	70	10	BAIE	
CS(=O)(=O)CCCNOCC(N)=O	160331552	OLBFEGVXNPJMRS-UHFFFAOYSA-N	210.255	-1.572	70	10	BAIE	
COCCNS(=O)(=O)NC1CC(N)C1	161290763	WDESPUSFRMFLKJ-UHFFFAOYSA-N	223.298	-1.454	70	10	BAIE	
CC[C@@H](C)NC(=O)CNOCC(N)=O	160323201	DISSHEPCKVVWFV-ZCFIWIBFSA-N	203.242	-1.092	70	10	BAIE	
CCOC(=O)[C@H](C)NC(=O)[C@@H](N)CO	218419155	FUYMBTFBSZRALA-WDSKDSINSA-N	204.226	-1.626	70	10	BAIE	
CCN[C@@H](C)CC(=O)NOCC(N)=O	160357646	XKIAKQOHQWQCRN-LURJTMIESA-N	203.242	-1.092	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)N[C@@H](C)CCO	160129594	PIPZSMTYSYSXPK-BQBZGAKWSA-N	218.253	-1.236	70	10	BAIE	
CCCNS(=O)(=O)NC[C@@](C)(O)CO	160716263	KAOKBEXZHIWSQG-SSDOTTSWSA-N	226.298	-1.436	70	10	BAIE	
CC(C)CNS(=O)(=O)NC[C@@](C)(O)CO	161260307	XIRXONCKGKZZSM-MRVPVSSYSA-N	240.325	-1.190	70	10	BAIE	
Cn1nccc1/C=C\C(=O)N1CC(=O)NC(=O)C1	217763143	RKZAFXZIBXHCMS-IHWYPQMZSA-N	248.242	-1.082	70	10	BAIE	
COCCNS(=O)(=O)N1CCC[C@H]1CO	161245970	PKCAAKAUHDNLCM-QMMMGPOBSA-N	238.309	-1.076	70	10	BAIE	
O=S(=O)(F)NC1(CO)CCNCC1	2241921398	WJVKTSPJHSMDQL-UHFFFAOYSA-N	212.246	-1.095	70	10	BAIE	
NC(=O)CONCCC(=O)NC1CC1	160330742	DGAKVJVNLVDPNT-UHFFFAOYSA-N	201.226	-1.338	70	10	BAIE	
COCCNS(=O)(=O)Nc1nnc[nH]1	161281111	KFLWOIWAUBAFEX-UHFFFAOYSA-N	221.242	-1.303	70	10	BAIE	
CN(Cc1nnnn1C)S(=O)(=O)F	1954483558	AAYWKMGVWSIOJG-UHFFFAOYSA-N	209.206	-1.144	70	10	BAIE	
NC(=O)CONC(=O)[C@H]1CSCN1	160353889	WEOMIYRSMVIJDP-SCSAIBSYSA-N	205.239	-1.818	70	10	BAIE	
O=C(CO)N1CC(CS(=O)(=O)F)C1	1883852342	XWBOQPNEBDQBOL-UHFFFAOYSA-N	211.214	-1.264	70	10	BAIE	
NC[C@@H]1CNCCN1S(=O)(=O)NC1CC1	160191964	UVRKQVPXDMOBSQ-MRVPVSSYSA-N	234.325	-1.784	70	10	BAIE	
COCCNS(=O)(=O)N1CC(CN)C1	161335186	JXWVWAZRLJYJDX-UHFFFAOYSA-N	223.298	-1.642	70	10	BAIE	
NC(=O)CONC(=O)C[C@@H]1CCNC1	160352793	NJAWWYPYTWXZCK-LURJTMIESA-N	201.226	-1.481	70	10	BAIE	
CCNS(=O)(=O)N(C)[C@@H]1CNC[C@H]1O	160819662	SSQGNVTZDXHADY-RNFRBKRXSA-N	223.298	-1.895	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)NC[C@H](C)CO	160111265	ATGAIIDMFRQYHV-BQBZGAKWSA-N	218.253	-1.379	70	10	BAIE	
CC[C@H]1CN(C[C@@H](N)C(N)=O)CCN1C	216635332	FRFJCJHTDYUMBK-DTWKUNHWSA-N	214.313	-1.175	70	10	BAIE	
CNC1CN(C(=O)CS(=O)(=O)C2CC2)C1	216708454	DCWVFYMUHXCYLM-UHFFFAOYSA-N	232.305	-1.006	70	10	BAIE	
O=S(=O)(F)NCC[C@@]1(O)CCNC1	2241915160	NZOSMDPAHUKAIH-LURJTMIESA-N	212.246	-1.095	70	10	BAIE	
COCCc1c(C(=O)OC)nnn1CC(N)=O	159829985	COSBNQKMRBNEAH-UHFFFAOYSA-N	242.235	-1.261	70	10	BAIE	
CCCNS(=O)(=O)N[C@H]1CNC[C@@H]1OC	160809818	IPKQNSZVRGLWIH-YUMQZZPRSA-N	237.325	-1.193	70	10	BAIE	
C#CC(=O)NC1CN(S(=O)(=O)F)C1	2241568437	AGALFPZMWFNTCE-UHFFFAOYSA-N	206.198	-1.366	70	10	BAIE	
NC(=O)CONC(=O)[C@H]1CC[C@@H](N)C1	160353457	LCDFHDGTYULBJE-NTSWFWBYSA-N	201.226	-1.353	70	10	BAIE	
COCCNS(=O)(=O)NCC(F)(F)CN	161318847	FKTYQIONZRQTJM-UHFFFAOYSA-N	247.267	-1.349	70	10	BAIE	
O=S(=O)(F)NC[C@@H]1NC[C@@H](O)[C@@H]1O	2241920525	KXKLLLOSFBTBET-VPENINKCSA-N	214.218	-2.516	70	10	BAIE	
NC[C@H]1CN(S(=O)(=O)NC2CC2)CCO1	160148730	XKKCIDZWABZIKS-QMMMGPOBSA-N	235.309	-1.357	70	10	BAIE	
CCCNS(=O)(=O)NC[C@@H](O)CO	160714397	HUAOXGAMNSQXCP-ZCFIWIBFSA-N	212.271	-1.826	70	10	BAIE	
CC(C)NS(=O)(=O)NCCOCCN	161042195	DQMSWSUWWBRILJ-UHFFFAOYSA-N	225.314	-1.206	70	10	BAIE	
COCCNS(=O)(=O)NC[C@H]1CCNC1	161310068	OVHKIKFAPNNYBJ-QMMMGPOBSA-N	237.325	-1.334	70	10	BAIE	
NC(=O)CN(CC(N)=O)C(=O)N1CCCCC1	160530875	JUMGGTFUEFSRGG-UHFFFAOYSA-N	242.279	-1.135	70	10	BAIE	
O=S(=O)(NC1CC1)NC1[C@H]2CNC[C@H]12	160813010	VMDSNMXCCDFQJO-BQBZGAKWSA-N	217.294	-1.209	70	10	BAIE	
COCCNS(=O)(=O)N(C)C[C@@H](C)CN	161168992	CBYAIOGCKVTYHZ-QMMMGPOBSA-N	239.341	-1.006	70	10	BAIE	
Nc1nc(=O)n([C@H]2OC[C@H](CO)O2)cc1F	217501458	VYTQHKAWLSZOFO-NVNXEXLPSA-N	231.183	-1.172	70	10	BAIE	
COC(=O)[C@H](O)CNC(=O)[C@@H]1CCOC1	217668514	IRBBKCYRCLNIPC-RNFRBKRXSA-N	217.221	-1.327	70	10	BAIE	
COCCNS(=O)(=O)NC1(CO)CCC1	161273735	JWDWKPXBVLLVSV-UHFFFAOYSA-N	238.309	-1.028	70	10	BAIE	
CS(=O)(=O)NC(=O)NS(=O)(=O)Cl	104552248	XNBDFXLDIYTJBK-UHFFFAOYSA-N	236.658	-1.271	70	10	BAIE	
NS(=O)(=O)N1CCC[C@@H](S(=O)(=O)F)C1	888083992	ACNHVOISSZNOBP-RXMQYKEDSA-N	246.285	-1.046	70	10	BAIE	
CNS(=O)(=O)N(C)C[C@@H](C)C(=N)N	161117941	VFZPJFCWTFZQEU-RXMQYKEDSA-N	208.287	-1.046	70	10	BAIE	
NS(=O)(=O)N1CC(CCS(=O)(=O)F)C1	1897481937	QSAHZMRZAOTUHX-UHFFFAOYSA-N	246.285	-1.189	70	10	BAIE	
CN(CC(N)=O)C(=O)N[C@@H]1CCOC1	159536416	FTCUDPSLVACJMA-ZCFIWIBFSA-N	201.226	-1.098	70	10	BAIE	
O=S(=O)(NC[C@@]1(O)CCNC1)NC1CC1	160269728	UGWYGLGCUYQSQF-MRVPVSSYSA-N	235.309	-1.703	70	10	BAIE	
COCCCNC(=O)Cn1c(=O)cc[nH]c1=O	218674938	ZZHQHSAOAPSUNZ-UHFFFAOYSA-N	241.247	-1.311	70	10	BAIE	
O=C(CCO)N1CC(S(=O)(=O)F)C1	1883850463	IFRANKCMTXRFNM-UHFFFAOYSA-N	211.214	-1.121	70	10	BAIE	
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Nc1nonc1C(=O)Nc1ccc(=O)[nH]n1	161113647	JPYBIHAXDBABMF-UHFFFAOYSA-N	222.164	-1.013	70	10	BAIE	
COCCNS(=O)(=O)NC(C)(C)C(=N)N	161346770	CFBHHBJZKRUUOZ-UHFFFAOYSA-N	238.313	-1.229	70	10	BAIE	
COCCNS(=O)(=O)N(C)[C@H](C)C(=N)N	161351915	XMFIGOJVGDEZSL-ZCFIWIBFSA-N	238.313	-1.277	70	10	BAIE	
O=C([C@@H]1C[C@@H](O)CN1)N1CCC[C@@H]1CO	218205829	YYALPWOXGUMLCR-HLTSFMKQSA-N	214.265	-1.308	70	10	BAIE	
NC(=O)CONC(=O)C[C@H](N)C1CC1	160351328	MUDWLJGWACRNIY-LURJTMIESA-N	201.226	-1.353	70	10	BAIE	
O=S(=O)(F)N1CCN[C@H]2COC[C@@H]21	2241921044	RDSGVNPVLAXINL-WDSKDSINSA-N	210.230	-1.127	70	10	BAIE	
CC[C@@H](C)[C@@H](N)C(=O)NOCC(N)=O	159606101	RAVYVERITGQCRK-IYSWYEEDSA-N	203.242	-1.107	70	10	BAIE	
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Cn1ncnc1CN1CCOC[C@H]1CN	161370602	GPTVYLOOFLFYNY-MRVPVSSYSA-N	211.269	-1.025	70	10	BAIE	
CCOC(=O)[C@@H](C)NC(=O)[C@@H](N)CO	218419074	FUYMBTFBSZRALA-RITPCOANSA-N	204.226	-1.626	70	10	BAIE	
O=S(=O)(F)N1C[C@H](O)CC12CNC2	2241919959	CIBNXQNFSCPPDG-RXMQYKEDSA-N	210.230	-1.391	70	10	BAIE	
NC(=O)CON[C@@H]1CCS(=O)(=O)C1	160306564	MAKNDJJTYWXEBQ-RXMQYKEDSA-N	208.239	-1.820	70	10	BAIE	
O=S1(=O)CCON(S(=O)(=O)F)CC1	1954484137	FHUYBOWRPWSFBE-UHFFFAOYSA-N	233.242	-1.137	70	10	BAIE	
CNS(=O)(=O)N1C[C@H](O)C[C@@H]1CN(C)C	160709810	AYCGRGWPYFZBNB-HTQZYQBOSA-N	237.325	-1.553	70	10	BAIE	
O=Cc1cc(CS(=O)(=O)F)cc(B(O)O)c1	1887505755	UVXMTNYPODQDMG-UHFFFAOYSA-N	246.024	-1.022	70	10	BAIE	
COC(=O)[C@H](O)CNC(=O)[C@H]1CCCO1	217707095	OOZLRSWMYZBEFX-RNFRBKRXSA-N	217.221	-1.185	70	10	BAIE	
CCN(C)C(=O)CNC(=N)NC(=N)N	218486730	VGODVXOIWWQLBC-UHFFFAOYSA-N	200.246	-1.528	70	10	BAIE	
CCCNS(=O)(=O)N1CCNC[C@@H]1CN	160190665	APJSWNODOXDCHG-QMMMGPOBSA-N	236.341	-1.537	70	10	BAIE	
C[C@H]1NCC[C@H]1C(=O)NOCC(N)=O	160355668	AIFAGRRTRXLWRO-PHDIDXHHSA-N	201.226	-1.483	70	10	BAIE	
CC[C@@H](N)CNS(=O)(=O)CS(C)(=O)=O	160748256	BULRKTGHRPBUAH-ZCFIWIBFSA-N	244.338	-1.355	70	10	BAIE	
COC(=O)N[C@@H]1CCN(C[C@H](N)C(N)=O)C1	160282844	JWPABWSJTMIDEP-RQJHMYQMSA-N	230.268	-1.771	70	10	BAIE	
NS(=O)(=O)N1CCC(S(=O)(=O)F)CC1	725709499	LMDKLZORFUVGLF-UHFFFAOYSA-N	246.285	-1.046	70	10	BAIE	
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CCS(=O)(=O)C[C@@H](C)NC[C@H](O)CO	217327479	RPHKTUMOMYTYKI-SFYZADRCSA-N	225.310	-1.248	70	10	BAIE	
CN(C(=O)[C@@H]1CC(=O)NC(=O)N1)C1CNC1	218259410	YYCQJJAPXBHMTM-LURJTMIESA-N	226.236	-1.985	70	10	BAIE	
O=C(NC1CN(S(=O)(=O)F)C1)c1nc[nH]n1	2243720301	OAHWMEUETFDMRJ-UHFFFAOYSA-N	249.227	-1.567	70	10	BAIE	
O=C(CN1CC[C@@H](CCO)C1)NCCO	159743102	RKXYULHNFOGSMM-VIFPVBQESA-N	216.281	-1.201	70	10	BAIE	
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CCC1(O)CN(S(=O)(=O)NCCOC)C1	161256739	IGNMOZJHMPZIQW-UHFFFAOYSA-N	238.309	-1.076	70	10	BAIE	
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COCCNS(=O)(=O)N[C@H]1CCC[C@@H]1N	161298221	GBIDYFCYCBYAJP-YUMQZZPRSA-N	237.325	-1.063	70	10	BAIE	
Nc1[nH]c(=O)[nH]c(=O)c1S(=O)(=O)Cl	100565114	XDJVWHKFCVWDNP-UHFFFAOYSA-N	225.613	-1.427	70	10	BAIE	
NCCC[C@H](NS(=O)(=O)F)C(=O)O	2241915172	OBYSQWQOFUXMKQ-BYPYZUCNSA-N	214.218	-1.018	70	10	BAIE	
COCCNS(=O)(=O)NC[C@](C)(O)CO	161260042	OJEVNRKNVVHZIK-ZETCQYMHSA-N	242.297	-2.200	70	10	BAIE	
COCCNS(=O)(=O)N(C)[C@H](C)CO	161267021	JOJCIGPELCGNQV-SSDOTTSWSA-N	226.298	-1.220	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)N(C)CC(N)=O	160055640	DVYRCYSKHGXBAG-ZCFIWIBFSA-N	217.225	-2.180	70	10	BAIE	
NC(=O)CON[C@H]1CCS(=O)(=O)C1	160306670	MAKNDJJTYWXEBQ-YFKPBYRVSA-N	208.239	-1.820	70	10	BAIE	
Nc1ncc([C@H](O)[C@@H](O)[C@H](O)CO)nn1	217701894	RQMSMUHYZOLWPX-SRQIZXRXSA-N	216.197	-2.799	70	10	BAIE	
CCNS(=O)(=O)N1C[C@@H](CN)OC[C@@H]1C	161071415	FOXJAAHPQUJBEG-JGVFFNPUSA-N	237.325	-1.111	70	10	BAIE	
COC[C@@H](O)CN(C)C(=O)[C@H]1C[C@@H](O)CN1	218035422	JGGAGXONEHFNMY-HRDYMLBCSA-N	232.280	-1.825	70	10	BAIE	
COC(=O)[C@H](N)[C@@H](O)[C@H](O)[C@H](O)CO	218451124	JQYHVBXNGZMJLJ-KVTDHHQDSA-N	209.198	-3.438	70	10	BAIE	
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COCCNS(=O)(=O)NNC(N)=S	161355911	QWRICYACKOHQMJ-UHFFFAOYSA-N	228.299	-2.195	70	10	BAIE	
N[C@@H]1CN(S(=O)(=O)F)[C@H]2COC[C@H]12	2241918064	FTQBBIDIGRAUNL-PBXRRBTRSA-N	210.230	-1.141	70	10	BAIE	
COCCNS(=O)(=O)N1CCC[C@@H](O)C1	161242960	IVOALOUQTKWNPJ-MRVPVSSYSA-N	238.309	-1.076	70	10	BAIE	
COCCNS(=O)(=O)NC[C@@H](O)CO	161259523	NNQBQWQGQLOXNR-ZCFIWIBFSA-N	228.270	-2.590	70	10	BAIE	
COCCNS(=O)(=O)NC[C@H]1CCCN1	161295130	SDJVHHXNWPRZFG-MRVPVSSYSA-N	237.325	-1.191	70	10	BAIE	
CC[C@H](CCO)NCC(=O)NC(N)=O	217833708	SFOZRUQNTJITAN-ZCFIWIBFSA-N	203.242	-1.068	70	10	BAIE	
O=S(=O)(F)N[C@H]1CNCC[C@H]1CO	2241921119	SCDYFQICYRTFER-WDSKDSINSA-N	212.246	-1.239	70	10	BAIE	
C[C@@H](O)[C@H](N)CNS(=O)(=O)NC(C)(C)C	160886466	FIIVDNMAGZTFQC-RNFRBKRXSA-N	239.341	-1.083	70	10	BAIE	
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NC(=O)CONC(=O)[C@]1(N)CCOC1	160361475	DYMLQDAKHGGJJY-ZETCQYMHSA-N	203.198	-2.363	70	10	BAIE	
O=C(CCO)NC1CN(S(=O)(=O)F)C1	2241574420	WVFAPJSFSPNWOE-UHFFFAOYSA-N	226.229	-1.617	70	10	BAIE	
CCNS(=O)(=O)N1CCNC[C@H]1CN	160191103	DOIAXYNXVBXRJP-SSDOTTSWSA-N	222.314	-1.927	70	10	BAIE	
COC(=O)[C@H](O)CNC(=O)c1cnns1	217710410	BJKDGUXLMMQIJJ-SCSAIBSYSA-N	231.233	-1.198	70	10	BAIE	
COC(=O)CNC(=O)NS(=O)(=O)Cl	104536753	HYKIOQCBLXENNE-UHFFFAOYSA-N	230.629	-1.058	70	10	BAIE	
CN1CCN(NC(=O)c2ccc(=O)[nH]n2)CC1	218675205	NNKGEHVTHYZLTP-UHFFFAOYSA-N	237.263	-1.338	70	10	BAIE	
C[C@H](O)[C@H](N)c1nnc(S(=O)(=O)F)n1C	685951406	KMIHNAPDHKMYPN-IMJSIDKUSA-N	238.244	-1.146	70	10	BAIE	
CC(C)NS(=O)(=O)NC[C@H](O)CO	160713715	UEAYQMLSPVCVAJ-LURJTMIESA-N	212.271	-1.828	70	10	BAIE	
O=S(=O)(F)c1nc(Cl)c2c(n1)=NCN=2	725701121	XFZOHTHNYPDABY-UHFFFAOYSA-N	236.615	-1.002	70	10	BAIE	
N[C@H]1CN(S(=O)(=O)F)CC[C@H]1CO	2241921297	UXMPFJYDDJKQAT-WDSKDSINSA-N	212.246	-1.158	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)N(C)C[C@H](C)O	160091671	UJSXMWVRCAKGMD-BQBZGAKWSA-N	218.253	-1.284	70	10	BAIE	
CC[C@H](C)/C([SiH3])=C(\[SiH3])[C@H](N)CN	238308181	KQRIKNIHJACELP-LUSDVDAMSA-N	202.450	-1.739	70	10	BAIE	
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O=C([C@H]1C[C@@H](O)CN1)N1CCC[C@@H]1CO	218205927	YYALPWOXGUMLCR-IWSPIJDZSA-N	214.265	-1.308	70	10	BAIE	
N[C@@H]1CN(S(=O)(=O)F)[C@H]2COC[C@@H]12	2241918062	FTQBBIDIGRAUNL-JKUQZMGJSA-N	210.230	-1.141	70	10	BAIE	
CS(=O)(=O)C1CN(S(=O)(=O)F)C1	1953503717	HPWHJYLOXRNNBH-UHFFFAOYSA-N	217.243	-1.071	70	10	BAIE	
O=C(O)[C@@H]1CNCCN1S(=O)(=O)F	2241919244	RRFDXAVJTKHWPF-BYPYZUCNSA-N	212.202	-1.441	70	10	BAIE	
CCOC(=O)[C@H](N)C(=O)NCC(C)(C)O	160111387	SRJMHSJPDVXWMQ-ZCFIWIBFSA-N	218.253	-1.236	70	10	BAIE	
CCOC(=O)[C@@H](N)C(=O)N(C)[C@@H](C)CO	160133830	FEUUZWOCPVEFMH-BQBZGAKWSA-N	218.253	-1.284	70	10	BAIE	
CNS(=O)(=O)N(CC(N)=O)[C@H]1CCNC1	160257590	OWMNQQAHDPZXEK-LURJTMIESA-N	236.297	-2.400	70	10	BAIE	
CC(CO)(CO)NCCS(N)(=O)=O	160733020	UCRCBWALJODDLX-UHFFFAOYSA-N	212.271	-2.392	70	10	BAIE	
N[C@@H]1CS(=O)(=O)C[C@H]1N1CCCOCC1	217576977	WUCYZBKOSJCAQU-RKDXNWHRSA-N	234.321	-1.167	70	10	BAIE	
O=C1CC[C@@H](C(=O)NC2[C@@H]3CNC[C@@H]23)N1	217767828	JGBXVTQKXWJYTL-QYNIQEEDSA-N	209.249	-1.401	70	10	BAIE	
Cn1ncnc1CN1CCOC[C@@H]1CN	161370490	GPTVYLOOFLFYNY-QMMMGPOBSA-N	211.269	-1.025	70	10	BAIE	
COCCNS(=O)(=O)NCC1(CO)CC1	161264076	CFPQTKFBICPLRM-UHFFFAOYSA-N	238.309	-1.171	70	10	BAIE	
CNS(=O)(=O)N1C[C@@H](O)C[C@@H]1CN(C)C	160709925	AYCGRGWPYFZBNB-SFYZADRCSA-N	237.325	-1.553	70	10	BAIE	
COCCNS(=O)(=O)NCC(C)=O	161235141	LJRMDFSZLIMHHT-UHFFFAOYSA-N	210.255	-1.354	70	10	BAIE	
CC(C)[C@H](N)CC(=O)NOCC(N)=O	160358272	AXGNNMMFSXMPBG-ZCFIWIBFSA-N	203.242	-1.107	70	10	BAIE	
CNS(=O)(=O)NC1CN(S(=O)(=O)F)C1	2241570007	FDUVKLMPUNKVHO-UHFFFAOYSA-N	247.273	-2.061	70	10	BAIE	
CO[C@]1(CN2CC(=O)NC(=O)C2)CCOC1	159365475	RGJLXEJFXVNTQK-JTQLQIEISA-N	228.248	-1.250	70	10	BAIE	
C[C@H](O)[C@@H](N)CNS(=O)(=O)NC(C)(C)C	160886593	FIIVDNMAGZTFQC-BQBZGAKWSA-N	239.341	-1.083	70	10	BAIE	
C[C@H](CN1CCO[C@@H](CN)C1)C(N)=O	217737799	RPDNFEPTUNNQQN-SFYZADRCSA-N	201.270	-1.233	70	10	BAIE	
NC(=O)CONC(=O)[C@H]1COC[C@H]1N	160361738	KPHNVCJRSXBUJY-CRCLSJGQSA-N	203.198	-2.507	70	10	BAIE	
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COCCNS(=O)(=O)NC[C@H](N)C1CC1	161311273	KIRGWAZFJQAYPX-QMMMGPOBSA-N	237.325	-1.206	70	10	BAIE	
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NC(=O)CONC(=O)c1csc(N)n1	160358534	HCDROKIKNXSNTP-UHFFFAOYSA-N	216.222	-1.128	70	10	BAIE	
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CN1CCCN(CC[C@@H](N)C(N)=O)CC1	218574466	SOGHYZCJIAHXCQ-SECBINFHSA-N	214.313	-1.173	70	10	BAIE	
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