smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1nn(C)c2ncc(-c3cnn(C)c3)cc12	217799643	ROHQRKOVCCFWBX-UHFFFAOYSA-N	227.271	1.677	70	20	BDID	
CC[C@H](CCO)NC(=O)[C@@H]1CCSC1	160133277	QNFONDCGTCLLNF-RKDXNWHRSA-N	217.334	1.017	70	20	BDID	
NCC[C@H]1CCN(C(=O)c2ccco2)C1	159994593	UXPUJODNKYAKTE-VIFPVBQESA-N	208.261	1.091	70	20	BDID	
c1nc2c(n1CCC1OCCCO1)CCCC2	216887578	BDCOIVOAMHCIAO-UHFFFAOYSA-N	236.315	1.915	70	20	BDID	
CCN(CCNc1cc(F)ncn1)C1CC1	218654524	GVXPJMMSSINCSV-UHFFFAOYSA-N	224.283	1.512	70	20	BDID	
CCS(=O)(=O)N1CC=C(C(F)(F)F)CC1	160258157	FWMQCUJBLVZGAR-UHFFFAOYSA-N	243.250	1.531	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)Cn1cccn1	159819944	UVBQDZUBKHTLSW-QWRGUYRKSA-N	221.304	1.578	70	20	BDID	
COc1ccc(NC(=O)[C@@H]2CCCCO2)cn1	159552345	RITVDOZOVVOGSP-JTQLQIEISA-N	236.271	1.598	70	20	BDID	
C[C@@H](C(=O)NC1CC1)N(C)Cc1cccnc1	159388767	AXFWRALREHSEPO-JTQLQIEISA-N	233.315	1.181	70	20	BDID	
N#Cc1cc(CS(=O)(=O)Cl)ccn1	111808585	ADHWMUHMONMKRN-UHFFFAOYSA-N	216.649	1.022	70	20	BDID	
N[C@@H]1CCC[C@@H](NC(=O)CCC2CCC2)C1	161270527	AFZIATOHCCGWHP-VXGBXAGGSA-N	224.348	1.953	70	20	BDID	
CC(C)(C)NC(=O)N1CCc2ncncc2C1	218067581	SJDYQBCFGIKNBP-UHFFFAOYSA-N	234.303	1.343	70	20	BDID	
COC[C@@H](C)NCc1cc(O)cc(F)c1	159586209	LMNUJBKMPOVBKH-MRVPVSSYSA-N	213.252	1.656	70	20	BDID	
CS[C@@H](C)CNC(=O)COC(C)C	159470158	IDYQKJMUJLRYJP-QMMMGPOBSA-N	205.323	1.279	70	20	BDID	
NCCCNC(=O)/C=C/c1cccc(F)c1	160133569	SPGLFXPBFJEUEQ-AATRIKPKSA-N	222.263	1.304	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)c1cnn(C)c1	159734910	TUZBOCPNTVODAY-GXSJLCMTSA-N	221.304	1.729	70	20	BDID	
Cc1ccc(CN(C)[C@H]2CCOC2)nc1	160065813	ZDYYXLVFFXMJIV-LBPRGKRZSA-N	206.289	1.611	70	20	BDID	
CCc1cc(O)nc(CN(C)Cc2ccco2)n1	160540133	QWRMHGZGBYRHLI-UHFFFAOYSA-N	247.298	1.970	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)CC(C)C	160033598	JLOLXJNGYMXYFK-SECBINFHSA-N	215.293	1.490	70	20	BDID	
CN(CCO)C(=O)NCCc1ccc(F)cc1	217527061	KNBXGADJOZNWMP-UHFFFAOYSA-N	240.278	1.002	70	20	BDID	
CS[C@@H](C)CNC(=O)N1CCCC1	159491595	YALVORGJCWOPAS-QMMMGPOBSA-N	202.323	1.543	70	20	BDID	
COC(=O)[C@H](C)NCc1ccncc1C	160602244	DXZQEZLBWIUNQA-VIFPVBQESA-N	208.261	1.041	70	20	BDID	
CS[C@@H](C)CNC(=O)NCCCF	160738011	CDCVAMXGXUFZHW-ZETCQYMHSA-N	208.302	1.397	70	20	BDID	
O=C1NC[C@H](Cn2cnc3ccccc32)O1	160869583	CSMWPPZUKDZHDN-MRVPVSSYSA-N	217.228	1.145	70	20	BDID	
COC(CN1CCC(n2cccn2)CC1)OC	161034390	AFKQNTHZPWTUMU-UHFFFAOYSA-N	239.319	1.139	70	20	BDID	
CC(C)NC(=S)N(C)CC1CCOCC1	161123435	NOCGJTGBUUREHO-UHFFFAOYSA-N	230.377	1.628	70	20	BDID	
CCCS(=O)(=O)N(C)CC[C@H](N)C(C)C	161240829	BWTCAZSRZQHHPN-JTQLQIEISA-N	236.381	1.031	70	20	BDID	
C[C@H](N[C@@H]1CCCOCC1)[C@@H]1CCOC1	161458275	KQYUSPOCMKYLJE-QJPTWQEYSA-N	213.321	1.570	70	20	BDID	
O=S(=O)(Cl)c1csnc1Cl	207114656	SJDMWFBKJAVNAU-UHFFFAOYSA-N	218.086	1.724	70	20	BDID	
CC[C@@H]1c2ccccc2CCN1C(=O)[C@@H](C)N	160132431	YTSUWCIYLRYYMT-ZWNOBZJWSA-N	232.327	1.870	70	20	BDID	
COc1cccnc1NCCn1cccn1	160217194	ZBQMZEXNTWLMIX-UHFFFAOYSA-N	218.260	1.399	70	20	BDID	
O=C(NCCc1ccccn1)NC1CC=CC1	160291682	HDZZCOYCBRRQOP-UHFFFAOYSA-N	231.299	1.642	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H]1C[C@@H]1C1CC1	160531508	SJHAVZOQUOYRDK-JMJZKYOTSA-N	239.315	1.490	70	20	BDID	
CS[C@H](C)CNC(=O)Nc1cccnc1	160814436	VSNVIRACWYFAJS-MRVPVSSYSA-N	225.317	1.955	70	20	BDID	
CC[C@H](C)OCC(=O)N1CCOCC1(C)C	160959740	NMENXAMHAIYWDK-JTQLQIEISA-N	229.320	1.439	70	20	BDID	
O=S(=O)(Cl)Cc1cncc(F)c1	160179186	MHLQOMSWDGCSJH-UHFFFAOYSA-N	209.629	1.289	70	20	BDID	
O=C1CCc2c(S(=O)(=O)Cl)ccc(O)c21	141138799	GWXNYFRITXRWSA-UHFFFAOYSA-N	246.671	1.449	70	20	BDID	
O=C(C1CCC1)N1CCc2ncncc2C1	218049276	OYUXGAVZSBJMAM-UHFFFAOYSA-N	217.272	1.161	70	20	BDID	
CCC(CC)(CNCCOC)C(=O)OC	159652822	FMYPBNNSIYMGRF-UHFFFAOYSA-N	217.309	1.202	70	20	BDID	
CC(C)C[C@H](C)NC(=O)N1CCOCC1	159489745	PMZYFFBAUHZEDW-JTQLQIEISA-N	214.309	1.463	70	20	BDID	
CCCCC(=O)N[C@H](CCO)C(C)C	160577312	AGWCSPMXMGMIOZ-SNVBAGLBSA-N	201.310	1.700	70	20	BDID	
CCCOCC(=O)Nc1cccc(F)n1	160774824	FBBZAGZSYJXIHQ-UHFFFAOYSA-N	212.224	1.586	70	20	BDID	
O=S(=O)(Cl)N1CC[C@@H]2CCCC[C@H]21	133551105	HSPTUOVEOPBNFK-JGVFFNPUSA-N	223.725	1.735	70	20	BDID	
C[C@@H](O)C[C@H]1CCCN1C(=O)Nc1cccnc1	160823867	ICIZPFNCZKKPKB-ZYHUDNBSSA-N	249.314	1.849	70	20	BDID	
CC(C)CCO[C@@H](C)C(=O)NC[C@H](C)CCO	160991146	GGZQEMMRDJQCKF-NEPJUHHUSA-N	245.363	1.572	70	20	BDID	
CN(Cc1cncn1C)C[C@@H]1CCC[C@@H]1O	159479156	KCPBPEUQHOTOTG-JQWIXIFHSA-N	223.320	1.013	70	20	BDID	
CC(C)[C@H](O)CN[C@H](C)c1ccccn1	160892226	XSSZXSAIMVQCNM-ZYHUDNBSSA-N	208.305	1.749	70	20	BDID	
O=S(=O)(Cl)Cc1cccc2c1COC2	216744406	VDFLUKGSHBYUEX-UHFFFAOYSA-N	232.688	1.785	70	20	BDID	
CC(C)[C@H]1C[C@@H](S(=O)(=O)Cl)CCO1	112132210	OWBFSTPOQHSMPP-JGVFFNPUSA-N	226.725	1.759	70	20	BDID	
C[C@@H]1CCO[C@@H]1C(=O)N1CCSC(C)(C)C1	161070097	CYXUWWALRCAOMW-ZJUUUORDSA-N	243.372	1.765	70	20	BDID	
CC[C@@H](C)N(C)C(=O)C(=O)Nc1ccc(C)nc1	161075066	LJZWJDQDGIAUPL-SNVBAGLBSA-N	249.314	1.585	70	20	BDID	
CCc1cc(NC(=O)c2cccc(F)n2)n(C)n1	160266152	GEZPPKGVTGFOHP-UHFFFAOYSA-N	248.261	1.769	70	20	BDID	
CC(C)OCCNC(=O)CNc1ccccc1	160363424	TXTGSFRENNPTBV-UHFFFAOYSA-N	236.315	1.640	70	20	BDID	
Cc1cccc(C(=O)NC2=NCCS2)c1F	159529959	VPJKUODRKVHYRX-UHFFFAOYSA-N	238.287	1.967	70	20	BDID	
CCc1cccc(NC(=O)NC2(CO)CC2)c1	159998574	OSFCMHQYLAOXPN-UHFFFAOYSA-N	234.299	1.895	70	20	BDID	
CS[C@H]1CCC[C@H](NC(=O)[C@@H]2CCNC2)C1	159577421	HBUCTVUYUZAWGP-VWYCJHECSA-N	242.388	1.386	70	20	BDID	
CN(Cc1ccon1)C[C@@H]1CCC[C@@H]1O	159686775	XNPKIALWEKPFIC-ONGXEEELSA-N	210.277	1.267	70	20	BDID	
C[C@H](O)C[C@H](C)CNC(=O)C1(CN)CCCC1	160568964	DWYFOLGPCHDSCT-QWRGUYRKSA-N	242.363	1.029	70	20	BDID	
Cc1cc(C(=O)N2C[C@H](C)OC[C@@H]2C)ncn1	161488197	CKOWUMDRPFPXLX-UWVGGRQHSA-N	235.287	1.034	70	20	BDID	
COc1cc(OC)nc(NCC(C)(C)OC)n1	160623164	LFDUTPDTZRYSHP-UHFFFAOYSA-N	241.291	1.331	70	20	BDID	
CC[C@@H](C)OCC(=O)N[C@@H]1CCCSC1	160830323	IITCRMFBUIHMFF-NXEZZACHSA-N	231.361	1.813	70	20	BDID	
O=C(CC[C@H]1CCOC1)NC1CC=CC1	160968314	POUYFNQWXHSLIW-JTQLQIEISA-N	209.289	1.638	70	20	BDID	
CC(C)n1cc(NC(=O)N[C@H]2CCOC2)cn1	159393405	GXAPPTLJBVLOCJ-VIFPVBQESA-N	238.291	1.374	70	20	BDID	
CC[C@](C)(O)CN1CCN(CC(F)F)CC1	160738022	CGZNHHXJKWCWKX-NSHDSACASA-N	236.306	1.030	70	20	BDID	
C[C@@H]1CC[C@@H](CNCCNC(C)(C)C)O1	161463626	IHUSPFLEYBBVAY-MNOVXSKESA-N	214.353	1.532	70	20	BDID	
CC[C@]1(C)C[C@H]1C(=O)N[C@H](CO)CC(C)C	161074799	JZBJIXLMIYNIIG-GMXVVIOVSA-N	227.348	1.946	70	20	BDID	
CC(C)Cc1nc(C(=O)NCCCN)cs1	160124869	KYJSJOKRWVELFR-UHFFFAOYSA-N	241.360	1.420	70	20	BDID	
CO[C@@H](C)C(=O)NCc1ccncc1C	160681887	URIOLOUGVCUHLP-VIFPVBQESA-N	208.261	1.041	70	20	BDID	
CCCC1(CNC(=O)CCc2nnc[nH]2)CC1	160730982	ATSIDPKNAFLKAW-UHFFFAOYSA-N	236.319	1.434	70	20	BDID	
C[C@@H](N)C(=O)N[C@H](C)[C@H](C)c1ccccc1	160890744	VMCVLWFZNCLSNO-HBNTYKKESA-N	220.316	1.642	70	20	BDID	
COCC(C)(C)C(=O)N1CCC[C@H]([C@@H](C)O)C1	160964072	LKTFWUFJOLQWBD-MNOVXSKESA-N	243.347	1.278	70	20	BDID	
O=C(CCl)N1Cc2ccc([N+](=O)[O-])cc2C1	166766445	ZKXYDEVTVOBQNV-UHFFFAOYSA-N	240.646	1.676	70	20	BDID	
C[C@H](c1ccccn1)N(C)C[C@H](O)C1CC1	160859050	HWTOCGXMAASSBA-MFKMUULPSA-N	220.316	1.845	70	20	BDID	
C[C@H]1CN(CC[C@@H]2CCCN2C)CC(C)(C)O1	161465594	WLPBGGOHQRAMFM-STQMWFEESA-N	240.391	1.970	70	20	BDID	
COCC[C@@H](C)N1CCC[C@@H](CN)C1	218651824	HKDKBFXDGHKVAP-MNOVXSKESA-N	200.326	1.082	70	20	BDID	
CCc1cc(O)nc(CN2CCC[C@H](C)C2)n1	160471449	TYTWHOWSCBFWBS-JTQLQIEISA-N	235.331	1.977	70	20	BDID	
CCCCNC(=O)N1CCN([C@H](C)CC)CC1	160517973	BDDODDPMQKWXJV-GFCCVEGCSA-N	241.379	1.912	70	20	BDID	
CC(C)N(C)C(=O)[C@H]1CCC(=O)C[C@@H]1C	159520354	BVOBYAZKVBIYAE-ONGXEEELSA-N	211.305	1.859	70	20	BDID	
O=S(=O)(OC[C@H]1CCCCO1)C(F)(F)F	148513463	FMNLRKSSDOVZMF-ZCFIWIBFSA-N	248.222	1.422	70	20	BDID	
CN(CCO)CCc1ccc(F)cc1F	159602289	AKAGOLANTGKYGW-UHFFFAOYSA-N	215.243	1.431	70	20	BDID	
C[C@H]1CC(NC(=O)NCCCF)C[C@H](C)O1	160117010	LNXQAYZWEZXYOQ-IUCAKERBSA-N	232.299	1.601	70	20	BDID	
CCCCO[C@@H](C)C(=O)N[C@@H](CCO)C(C)C	160652534	KDPPKRIUJRSVGS-RYUDHWBXSA-N	245.363	1.715	70	20	BDID	
C[C@H](N)[C@@H]1CCN(CCC(F)(F)F)C1	159505113	JZMAPIHAFUACTD-JGVFFNPUSA-N	210.243	1.608	70	20	BDID	
c1c[nH]c(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n1	159527195	MSPPXWCGASHPEN-JLLWLGSASA-N	233.315	1.457	70	20	BDID	
C[C@@H](C(N)=O)N(C)Cc1cccc(N(C)C)c1	159815671	ZIEIDAKDZLFHLT-JTQLQIEISA-N	235.331	1.058	70	20	BDID	
Cc1noc(C)c1CS(=O)(=O)Cl	100581036	BKMGJKWQMQZFNJ-UHFFFAOYSA-N	209.654	1.360	70	20	BDID	
CCN1CCN(C(=O)NCC2CCCC2)CC1	217574010	WYGMDTZAOKZONR-UHFFFAOYSA-N	239.363	1.524	70	20	BDID	
C[C@@H](c1cccnc1)N1CCC[C@@H](N)C1	217498518	BOGJLTOKQCOSOX-CMPLNLGQSA-N	205.305	1.566	70	20	BDID	
CC(C)(Cc1ccccc1)C(=O)NCCCN	160062211	GAIDKNBHDFFSRG-UHFFFAOYSA-N	234.343	1.720	70	20	BDID	
C[C@H](N)C(=O)N1CCC[C@@](C)(c2ccccc2)C1	160102023	KLLPNBUAOVEAMU-SWLSCSKDSA-N	246.354	1.914	70	20	BDID	
N[C@@H]1CCN(C(=O)C[C@@H]2CCc3ccccc32)C1	160308097	YEQUNMMQZYBGIC-QWHCGFSZSA-N	244.338	1.666	70	20	BDID	
COCCNC(=O)c1cc(F)c(Cl)cc1F	160458099	SNHKKWMDIASDSF-UHFFFAOYSA-N	249.644	1.994	70	20	BDID	
CCONC(=O)NC[C@H](C)c1nccs1	159565039	BSVGRDBUWPDRBC-ZETCQYMHSA-N	229.305	1.497	70	20	BDID	
C/C=C/C(=O)NCCc1ccccc1OC	217483789	ISWZAYYOOAAFSL-ZZXKWVIFSA-N	219.284	1.930	70	20	BDID	
O=C(/C=C\c1ccccc1)N1CC(O)(C2CC2)C1	216967698	TUAGIHTVTSHOTK-TWGQIWQCSA-N	243.306	1.683	70	20	BDID	
CN(CCc1ccccc1)Cc1nncn1C	160803712	KOCFLMAXPDXAJC-UHFFFAOYSA-N	230.315	1.490	70	20	BDID	
c1cnc(N[C@H]2CCO[C@@H](C3CC3)C2)nc1	160395039	WELGMIJCMPGJPJ-WDEREUQCSA-N	219.288	1.846	70	20	BDID	
CC(C)(C)CCCNC(=O)CNCC1CC1	160538660	ITRQEAMLPXAEEI-UHFFFAOYSA-N	226.364	1.929	70	20	BDID	
CCCC[C@@H](C(=O)OC)N(C)CCOC	160797728	VJWMKRIPIATFIP-JTQLQIEISA-N	217.309	1.296	70	20	BDID	
CC(C)(C)CCN1CCC2(C1)OCCO2	160617387	DXLNCZGGPPGZTB-UHFFFAOYSA-N	213.321	1.871	70	20	BDID	
COc1cc(C)nc(NCc2cccnc2)n1	161089595	BSUJZFTUSMNAFF-UHFFFAOYSA-N	230.271	1.801	70	20	BDID	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NCCCO	161172475	BEKPKVFKARMIFI-VHSXEESVSA-N	239.340	1.659	70	20	BDID	
Cc1cc(C(=O)NCCc2ccccn2)ncn1	161182880	VIMOWOZATJKGTJ-UHFFFAOYSA-N	242.282	1.153	70	20	BDID	
O=C(Nc1ccc2[nH]nnc2c1)[C@H]1CCCCO1	160089599	VNBKJOFPRMZBLV-LLVKDONJSA-N	246.270	1.466	70	20	BDID	
CC1CCN(C(=O)N2C[C@@H](C)O[C@H](C)C2)CC1	160295679	DGIKPAKZTBGICA-VXGBXAGGSA-N	240.347	1.948	70	20	BDID	
CC(C)N(C(=O)C[C@H]1CCCN1)C1CCC1	160562102	GYRWSOSHLVQHFH-LLVKDONJSA-N	224.348	1.918	70	20	BDID	
CC[C@@]1(C)C[C@H]1C(=O)NCC(=O)N1CCCC1	160569789	UDVUJCIQSNAZDC-GWCFXTLKSA-N	238.331	1.161	70	20	BDID	
CCCC1(CNC(=O)[C@H]2CC(=O)N(C)C2)CC1	160733396	XDASTXSIYOGOSK-JTQLQIEISA-N	238.331	1.161	70	20	BDID	
CCc1ncnc(NCCN(C)C2CC2)c1F	217989170	QKVSGMGLSXQKIZ-UHFFFAOYSA-N	238.310	1.684	70	20	BDID	
CC1(C)C[C@@H]1C(=O)N[C@H]1CCC[C@H](N)C1	160758280	IOROFQZJVDCBCS-LPEHRKFASA-N	210.321	1.419	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)[C@H]1CC1(C)C	160753369	CGQXMAJSHFQFGM-VHSXEESVSA-N	213.321	1.556	70	20	BDID	
CCCN(CC)C(=O)N[C@H]1CCOC1	159560595	MQDQUXZFNVUVJB-VIFPVBQESA-N	200.282	1.217	70	20	BDID	
Cc1ccc(/C=C/C(=O)NCC(C)(C)N)cc1	160013190	GQUCZKCMTPHZDS-CMDGGOBGSA-N	232.327	1.862	70	20	BDID	
CS[C@H](C)CC(=O)NC1CCOCC1	160442325	VYUIYFSKWMGZBI-MRVPVSSYSA-N	217.334	1.423	70	20	BDID	
CSCC[C@@H](C)N(C)C(=O)N[C@H]1CCOC1	159564198	VNRFKNLIJAVETE-ZJUUUORDSA-N	246.376	1.558	70	20	BDID	
CCCS(=O)(=O)N1[C@H]2C=CC[C@H]1CC2	218761132	BUQCBGDKJBFVHJ-UWVGGRQHSA-N	215.318	1.519	70	20	BDID	
CSC[C@H](C)N[C@H]1CCN2CCC[C@@H]2C1	159983226	QIMFCPBUIWBUOP-SDDRHHMPSA-N	228.405	1.954	70	20	BDID	
CC[C@@H](CCO)NC(=O)[C@H]1CCSC1	160133426	QNFONDCGTCLLNF-IUCAKERBSA-N	217.334	1.017	70	20	BDID	
CCc1ncnc(SCCO)c1F	217951864	VXVJCGVCVXWGSB-UHFFFAOYSA-N	202.254	1.263	70	20	BDID	
COC[C@H](O)CCNC(=O)C[C@@H](C)CC(C)C	161149769	HEJXEBHUEHTUTM-NWDGAFQWSA-N	245.363	1.572	70	20	BDID	
CC[C@H](C)C(=O)N1CCS(=O)(=O)C(C)(C)C1	160054037	BWNYWIOECBABAG-VIFPVBQESA-N	247.360	1.068	70	20	BDID	
CN(C(=O)c1ccon1)c1ccc2c(c1)OCO2	160163283	IUWBUGNDDUAFHT-UHFFFAOYSA-N	246.222	1.680	70	20	BDID	
C[C@@H](CO)N(C)C(=O)Cn1ccc2ccccc21	160393422	ZCIMYMZQJRXXIS-NSHDSACASA-N	246.310	1.481	70	20	BDID	
COC(=O)C[C@H](C)C(=O)Nc1ccccc1O	160521729	NRFUFSLDHMCSQS-QMMMGPOBSA-N	237.255	1.530	70	20	BDID	
CCOC(=O)CCCN(C)Cc1cc(C)on1	160967100	NNIARUSMKWSAGX-UHFFFAOYSA-N	240.303	1.758	70	20	BDID	
Cc1ccc(NC(=O)N[C@H]2CCOC2)c(C)n1	159405059	KHTQRVDTOZSYKQ-JTQLQIEISA-N	235.287	1.609	70	20	BDID	
CC[C@H](NS(C)(=O)=O)c1ccc(F)cc1F	159609119	INVBASGAOFKVJU-JTQLQIEISA-N	249.282	1.965	70	20	BDID	
CCOC(=O)NCCCC(=O)N(CC)C(C)C	159904016	UDMMUUOHGLIPCQ-UHFFFAOYSA-N	244.335	1.770	70	20	BDID	
CN(Cc1ccco1)C(=O)[C@H]1CCCCO1	159936104	RJQAAYPYUBTOIF-LLVKDONJSA-N	223.272	1.807	70	20	BDID	
Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2O)cc1O	160899038	SSJVJFLHFBMSNC-GHMZBOCLSA-N	235.283	1.344	70	20	BDID	
CC(C)CCC(=O)N1CC[C@H](CCN)C1	159984144	BZKNCKURNFKXSN-NSHDSACASA-N	212.337	1.620	70	20	BDID	
CCC[C@@H](S[C@H](C)CO)C(=O)OCC	160729716	ZKEQMSFBZLULIQ-RKDXNWHRSA-N	220.334	1.832	70	20	BDID	
C[C@@H](NC(=O)NOCc1cccnc1)C1CC1	161021080	KGNWZAIUIRGYPM-SECBINFHSA-N	235.287	1.611	70	20	BDID	
Cc1cc(C[C@H](C)NC(=O)C2CCCC2)n[nH]1	161330648	UTGDCURPNQALQH-VIFPVBQESA-N	235.331	1.956	70	20	BDID	
Cc1ccc(N(C)C(=O)C[C@H]2COC(=O)C2)cc1	160126628	YCHOJFDDCIJZBM-LLVKDONJSA-N	247.294	1.911	70	20	BDID	
CN(C)C1CN(c2nc(C(C)(C)C)ns2)C1	160156283	NBAYGFHKGRGLCK-UHFFFAOYSA-N	240.376	1.586	70	20	BDID	
C[C@@H](CC(N)=O)Nc1nc2ccccc2[nH]1	160553341	DIUNTASFZHFEPB-ZETCQYMHSA-N	218.260	1.239	70	20	BDID	
CC1(NC(=O)c2cccc(F)n2)CCC1	160752619	GWZFBUWPEHXXFB-UHFFFAOYSA-N	208.236	1.893	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)CNC(=O)OC	159759974	GSHYAESUQHWQCB-IUCAKERBSA-N	228.292	1.037	70	20	BDID	
CC(C)CC[C@H](NC(=O)CN)C(C)(C)C	160071423	WOKNOUSDSAWTBH-JTQLQIEISA-N	214.353	1.912	70	20	BDID	
CC(C)N(C)C(=O)[C@@H]1CCC(=O)C[C@@H]1C	159520554	BVOBYAZKVBIYAE-GXSJLCMTSA-N	211.305	1.859	70	20	BDID	
CNCCNCc1ccc(OC)c(F)c1	161281667	SRSQRCUFAGRRGZ-UHFFFAOYSA-N	212.268	1.143	70	20	BDID	
CC[C@@H](NC(=O)[C@@H](C)N)c1ccc(F)cc1F	161208220	FWRSEFDNPCSJAO-RDDDGLTNSA-N	242.269	1.879	70	20	BDID	
CS[C@@H](C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1	161507155	AYPZCOHXJQPJDF-APPZFPTMSA-N	241.360	1.517	70	20	BDID	
CC(C)(C)c1ccc(C(=O)NCCO)s1	159504298	FKJLCOVFQLFCKA-UHFFFAOYSA-N	227.329	1.768	70	20	BDID	
O=C(N[C@@H]1CCOC1)N1CCC[C@H]2CCC[C@@H]21	159382571	OLJMIVFMJTYVOB-UTUOFQBUSA-N	238.331	1.749	70	20	BDID	
CCCCC(=O)NCC1(C)CCNCC1	159976322	CIBUARNHUQLNQS-UHFFFAOYSA-N	212.337	1.683	70	20	BDID	
C[C@@H]1NCCC[C@@H]1NC(=O)c1cccs1	160539145	OQQORTSRSMBYTO-IUCAKERBSA-N	224.329	1.618	70	20	BDID	
c1ccc2c(c1)nnn2OCc1nccs1	161142097	INXRVOKPWKCURP-UHFFFAOYSA-N	232.268	1.517	70	20	BDID	
COc1cccc(CNC[C@H](C)O)c1F	160462223	UTLUUHWANBIJAD-QMMMGPOBSA-N	213.252	1.305	70	20	BDID	
O=C(NCC1=CCNCC1)c1ccsc1	160516411	UEIWYRDAQCRZPK-UHFFFAOYSA-N	222.313	1.398	70	20	BDID	
CC[C@H](C)OCC(=O)N1CCC[C@H]1COC	160884460	YLFGSLOLQWFSTF-QWRGUYRKSA-N	229.320	1.439	70	20	BDID	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1cn[nH]c1	159826514	VYGACSWGFZQQNY-ZETCQYMHSA-N	247.302	1.882	70	20	BDID	
CC1(NC(=O)N[C@@H]2CCOC2)CCCCC1	159566314	CGEJPQHQTBIXCS-SNVBAGLBSA-N	226.320	1.797	70	20	BDID	
OC[C@H]1CCCCN1C[C@H](O)Cc1ccccc1	159828638	YQXFSTJTDIVLBM-HUUCEWRRSA-N	249.354	1.437	70	20	BDID	
CCc1nc(C(=O)N[C@@H](CC)CCO)co1	159465729	VVVJDBPISVIREI-QMMMGPOBSA-N	226.276	1.128	70	20	BDID	
CC(C)NC(=S)N(C)[C@H]1CCSC1	160045616	DUSMRDDEGNTZIF-QMMMGPOBSA-N	218.391	1.707	70	20	BDID	
CC1CCN(C(=O)N(C)C2CCOCC2)CC1	160367150	PODMTHIASCMDBS-UHFFFAOYSA-N	240.347	1.949	70	20	BDID	
C[C@@H]1CCC[C@@H](C(=O)NCC(C)(C)C(N)=O)C1	160883939	JKURXABBGZAPDZ-NXEZZACHSA-N	240.347	1.440	70	20	BDID	
CC(C)CCS(=O)(=O)NCc1ccncc1	159494223	HZZTVWXTNJDLFO-UHFFFAOYSA-N	242.344	1.547	70	20	BDID	
CC[C@H](C)Oc1ccc(C(=O)NCCO)cc1	159378570	YMYUQKVJYYFPGE-JTQLQIEISA-N	237.299	1.586	70	20	BDID	
COCCNC(=S)N[C@H](C)CC(C)C	159570833	CRKNAPXXPFCFKW-SECBINFHSA-N	218.366	1.532	70	20	BDID	
CCOC(=O)CCN(C)[C@H](C)CCOC	161423950	GVYSKVRKKPZVQD-SNVBAGLBSA-N	217.309	1.296	70	20	BDID	
CN(C)CC(=O)N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21	160600820	AABCADPDKSMKLZ-KWCYVHTRSA-N	230.311	1.003	70	20	BDID	
COCC(C)(C)C(=O)N(C)CCC1CC1	160978692	AXVZQECLWAKPBL-UHFFFAOYSA-N	213.321	1.918	70	20	BDID	
CCc1nsc(N[C@H](C)C[C@@H](C)O)n1	159685682	QKSAMBJGHWZAOO-RNFRBKRXSA-N	215.322	1.672	70	20	BDID	
CC(C)C[C@@H]1CCN(C(=O)C2CCNCC2)C1	159610262	FAOYAKCTEZTJCC-LBPRGKRZSA-N	238.375	1.881	70	20	BDID	
COc1ccccc1[C@H]1CCN(C(=O)[C@H](C)N)C1	161437489	BKNMSFMGJHBIEH-QWRGUYRKSA-N	248.326	1.358	70	20	BDID	
C[C@H](NC(=O)[C@@H](C)N)[C@H](C)c1ccccc1	160891029	VMCVLWFZNCLSNO-AXFHLTTASA-N	220.316	1.642	70	20	BDID	
CCc1noc(Cn2cnc(C(C)C)cc2=O)n1	160910272	RIWKBHZKZXAMCV-UHFFFAOYSA-N	248.286	1.360	70	20	BDID	
Cn1cnc2cc(C(=O)NC3(C)CCC3)cnc21	160988595	VFEOFUZTCGZTGN-UHFFFAOYSA-N	244.298	1.641	70	20	BDID	
C[C@@H](N)C(=O)N[C@H]1c2ccccc2C[C@H]1C	159881847	JZEDQGPXBHPLOZ-KBVBSXBZSA-N	218.300	1.383	70	20	BDID	
CC[C@@H](C)OCC(=O)N(C)Cc1ccccn1	159498425	SFCYTLSMOBIUJG-LLVKDONJSA-N	236.315	1.855	70	20	BDID	
CNCC(=O)NC[C@@H](C)Cc1cccs1	161092708	PRYKPRGBINGORK-VIFPVBQESA-N	226.345	1.262	70	20	BDID	
CCC1(O)CN(C(=O)/C=C\c2ccccc2F)C1	217464850	SBNQDEAVJVDGIW-FPLPWBNLSA-N	249.285	1.822	70	20	BDID	
Cc1cnccc1CNC[C@H]1CCCO1	160591022	GYHJJRMEEGJQSR-GFCCVEGCSA-N	206.289	1.659	70	20	BDID	
C[C@@H](CO)SCC(=O)N1CCCCC1	160778574	ULSUYYFQSPXBJX-VIFPVBQESA-N	217.334	1.113	70	20	BDID	
C[C@@H](CC(N)=O)N[C@@H]1CCCC(C)(C)C1	160803363	LTDJFKWZBLDNAB-VHSXEESVSA-N	212.337	1.809	70	20	BDID	
CCc1ncnc(NC[C@@H]2CCN(C)C2)c1F	218005490	YZIPPHKTMSUKNY-VIFPVBQESA-N	238.310	1.542	70	20	BDID	
O=C(C=C1CCC1)N[C@@H]1c2ccccc2C[C@@H]1O	159827551	GYKJAYWZEMDUJT-DZGCQCFKSA-N	243.306	1.871	70	20	BDID	
C[C@@H](N)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C	159877430	XPAVXCNADTUMIC-ZNSHCXBVSA-N	210.321	1.513	70	20	BDID	
Cc1nccc(NCCCNC(=O)C(C)C)n1	161433241	JKGCOINTXKBRDR-UHFFFAOYSA-N	236.319	1.359	70	20	BDID	
CCc1ncnc(NC[C@@H](C)N(C)C)c1F	217967966	WTNHHVGFEKOUFV-MRVPVSSYSA-N	226.299	1.540	70	20	BDID	
C[C@@H](N[C@H]1CCCNC1=O)c1cscn1	161179858	WWNVUNVUBACTRX-SFYZADRCSA-N	225.317	1.072	70	20	BDID	
CCCC[C@H](C(=O)OC)N1CCC[C@@H](O)C1	218201660	PNPIVCPFONSZDM-GHMZBOCLSA-N	229.320	1.175	70	20	BDID	
CS[C@H](C)CNC(=O)NC1CCN(C)CC1	159571679	RQLYZJPIFIKXFW-SECBINFHSA-N	245.392	1.131	70	20	BDID	
CCN1CCC[C@@H]1CNC(=O)[C@@H]1CCCCO1	161084217	DQCDOLISRWQCRK-NEPJUHHUSA-N	240.347	1.156	70	20	BDID	
CN(CCc1nccs1)S(=O)(=O)C1CC1	159669156	IHEABLSOQUEUEF-UHFFFAOYSA-N	246.357	1.110	70	20	BDID	
O=S(=O)(Cl)c1ccc(F)c(O)c1F	238857084	YAYXKPSHWDSAHN-UHFFFAOYSA-N	228.603	1.598	70	20	BDID	
O=S(=O)(F)c1ccc(OC2CC2)cc1	238699834	MLHGSWXXNSUTJG-UHFFFAOYSA-N	216.233	1.886	70	20	BDID	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCCCO	161172073	BEKPKVFKARMIFI-ZJUUUORDSA-N	239.340	1.659	70	20	BDID	
C[C@H](CO)CNC(=O)CCc1ccsc1	160491852	OBDYUNSENVJQLP-VIFPVBQESA-N	227.329	1.425	70	20	BDID	
CNCCN(C)c1ccncc1Br	159803585	LHIWCPODIKYVLG-UHFFFAOYSA-N	244.136	1.500	70	20	BDID	
Cc1cc(N[C@@H](C)C(=O)N(C)C(C)C)nn1C	159617992	NSMJSSFKSDYFTJ-JTQLQIEISA-N	238.335	1.396	70	20	BDID	
CC(C)[C@H](Cc1ccccc1)C(=O)NCC(N)=O	159420588	YWAOOMXBBDMACW-LBPRGKRZSA-N	248.326	1.103	70	20	BDID	
O=S(=O)(F)Oc1ccc([C@@H]2CCOC2)cc1	1887504036	FZMQQBIFIKXSMO-SECBINFHSA-N	246.259	1.784	70	20	BDID	
C[C@@H](C(=O)OC(C)(C)C)N1CCC[C@@H](O)C1	217724951	KPKYJGIGORPMKE-VHSXEESVSA-N	229.320	1.173	70	20	BDID	
CCN(CCOC)Cc1ccc(CO)o1	161157244	AVDGYBNLUXYBNA-UHFFFAOYSA-N	213.277	1.240	70	20	BDID	
CCOCC(=O)NC[C@@H]1[C@H]2c3ccccc3C[C@@H]12	161500395	IDQHPPHYIVQLRX-YDHLFZDLSA-N	245.322	1.725	70	20	BDID	
C[C@@H](N)C(=O)N(C)[C@H]1CCc2ccccc2C1	160119502	ONYCJMGVRIGEFX-MFKMUULPSA-N	232.327	1.350	70	20	BDID	
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](N)C2)n1C	160904510	CSWAHUXQUXDDMQ-GHMZBOCLSA-N	235.331	1.333	70	20	BDID	
COC(=O)c1cnc(NCC(C)(C)OC)s1	159414138	AGXCSUOKDJOUKU-UHFFFAOYSA-N	244.316	1.767	70	20	BDID	
C[C@@H](CN(C)C)NCc1cncc(F)c1	160129418	AKDGXHNWSBTRLZ-VIFPVBQESA-N	211.284	1.260	70	20	BDID	
N[C@@H]1CCC[C@H](NC(=O)C2[C@H]3CCC[C@H]23)C1	161040773	IVORSOXCHRIMHT-RCWTZXSCSA-N	222.332	1.419	70	20	BDID	
C[C@H](N)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F	161019124	LUAMPLPTCPHPQA-PJKMHFRUSA-N	240.253	1.284	70	20	BDID	
CC[C@H](C)OCC(=O)NCc1c(C)noc1C	161204892	FKDWDUGNCGLGFR-QMMMGPOBSA-N	240.303	1.723	70	20	BDID	
Cc1nc(NC(=O)[C@H]2CCOC2)cc(C2CC2)n1	160182319	QVMJEBRMFYYRMY-JTQLQIEISA-N	247.298	1.637	70	20	BDID	
C[C@@H]1CN(C(N)=O)C[C@H](c2ccsc2)O1	160178168	PSQJGXQYZOMLFH-VXNVDRBHSA-N	226.301	1.589	70	20	BDID	
CCCCOCC(=O)N(C)Cc1cccn1C	160493030	YRXWIIWMQKRYRE-UHFFFAOYSA-N	238.331	1.800	70	20	BDID	
C[C@@H](CNC(=O)N[C@@H]1CCOC1)C(C)(C)C	159407453	GOTOPZZLGCNMAZ-VHSXEESVSA-N	228.336	1.757	70	20	BDID	
CC(C)OCCNC(=O)NCCc1ccco1	159562139	BMAJAHQWJLRGGQ-UHFFFAOYSA-N	240.303	1.546	70	20	BDID	
CCN(C)C(=O)N1C[C@@H]2CCCCN2C[C@@H]1C	160679505	YOJCELQVIKDIPR-RYUDHWBXSA-N	239.363	1.617	70	20	BDID	
CCN(Cc1ccccn1)[C@H](C)C(=O)NC1CC1	161125757	PPXFGARBLBVBAK-LLVKDONJSA-N	247.342	1.571	70	20	BDID	
O=c1c2ccccc2ncn1Cc1nccs1	161118994	ZWWOACAGLNFLNH-UHFFFAOYSA-N	243.291	1.901	70	20	BDID	
CCC[C@@H](O)CN[C@H](C)c1cscn1	161195979	QUUZGBFQRFLOCI-RKDXNWHRSA-N	214.334	1.955	70	20	BDID	
C[C@H](N)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	161393740	XYZZASBPRKZXDO-ONGXEEELSA-N	248.326	1.752	70	20	BDID	
CC(C)(N)CNC(=O)C[C@@H]1CCc2ccccc21	160097872	OCCZZHQFQICRLM-LBPRGKRZSA-N	246.354	1.960	70	20	BDID	
CCCN1CCCN(C(=O)[C@@H](C)OCC)CC1	160395835	JEGUPUAJRFNTAU-GFCCVEGCSA-N	242.363	1.356	70	20	BDID	
CC[C@H](N[C@@H]1CCc2nc(C)nn2C1)C1CC1	160542625	IRDMABGGDRSOGE-NEPJUHHUSA-N	234.347	1.680	70	20	BDID	
CN1CCN(CCC(C)(C)C)CCC1=O	218471054	VCPYYRXBJFWFQQ-UHFFFAOYSA-N	212.337	1.587	70	20	BDID	
COC[C@@H](C)NC(=S)NC1(C)CCC1	159966051	FTDGEUGMYVABBT-MRVPVSSYSA-N	216.350	1.428	70	20	BDID	
CSC[C@H](C)NC(=O)CC[C@H]1CCNC1	160470698	UDGASNSROTYKLS-UWVGGRQHSA-N	230.377	1.244	70	20	BDID	
c1nc2c(n1CCN1CCCC1)CCCC2	160722147	JGUUBRZRKWGKAX-UHFFFAOYSA-N	219.332	1.858	70	20	BDID	
CC(C)[C@@H](O)CN[C@H](C)c1ccncc1	161234806	DOSRMNSFKWEAIU-PWSUYJOCSA-N	208.305	1.749	70	20	BDID	
O=S(=O)(Cl)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1F	1537958805	MHDNKSNPTJQBNA-YTLHQDLWSA-N	212.673	1.692	70	20	BDID	
CCC[C@H](O)CN[C@@H]1CCC[C@@H](N)C1	217722696	JJQKOKQOVPDDHL-MXWKQRLJSA-N	200.326	1.007	70	20	BDID	
CC/C(=C/C(=O)N1CC(O)C1)c1ccc(C)cc1	161443574	MCGFPEDZGZIFAQ-WQLSENKSSA-N	245.322	1.992	70	20	BDID	
CC1(NC(=O)c2cccs2)CCNCC1	160575270	UUGLAEJSEILMON-UHFFFAOYSA-N	224.329	1.620	70	20	BDID	
N[C@@H]1CCC[C@@H](NC(=O)CCc2cccnc2)C1	161238962	OWYBJTVZKQRQDL-CHWSQXEVSA-N	247.342	1.400	70	20	BDID	
Cc1cnccc1CCS(=O)(=O)Cl	307140923	BHPCJYHHFMCFPK-UHFFFAOYSA-N	219.693	1.501	70	20	BDID	
COc1ccnc(NCc2ncccc2C)n1	161088540	JGDCEERXKQYSED-UHFFFAOYSA-N	230.271	1.801	70	20	BDID	
C[C@H](CC(=O)NCCCN)c1ccc(F)cc1	160008227	NDOMGIRZEUZRNV-SNVBAGLBSA-N	238.306	1.784	70	20	BDID	
COC(=O)CN1CCC[C@H]1c1cccc(C)n1	160194979	WLLWDPDUWDZJBJ-LBPRGKRZSA-N	234.299	1.700	70	20	BDID	
CCCCN(C)C(=O)N[C@@H]1CCOC1	159442831	GLRTXQVBDDYGBA-SECBINFHSA-N	200.282	1.217	70	20	BDID	
CCc1cc(O)nc(CN2CCSCC2)n1	160873389	HDEIUZQEXZXRRC-UHFFFAOYSA-N	239.344	1.293	70	20	BDID	
O=S(=O)(Cl)CCC[C@H]1CCCO1	114443221	NGARYXJZPTXLPS-SSDOTTSWSA-N	212.698	1.514	70	20	BDID	
CC(C)OCCCN(C)[C@@H]1CCCCNC1=O	160299955	AMLIFOUMFNUDQT-GFCCVEGCSA-N	242.363	1.402	70	20	BDID	
CC(C)SCC(=O)NC1(CO)CCC1	161107304	MPMQAAZNEYBBRT-UHFFFAOYSA-N	217.334	1.159	70	20	BDID	
CCCCN(C(=O)N[C@@H]1CCOC1)C1CC1	159550536	DLXZMJQQPZSCMT-SNVBAGLBSA-N	226.320	1.749	70	20	BDID	
CCc1ncnc(NC[C@H]2CCN(C)C2)c1F	218005551	YZIPPHKTMSUKNY-SECBINFHSA-N	238.310	1.542	70	20	BDID	
O=S(=O)(Cl)C[C@@H]1Cc2ccccc2O1	117380677	KXTBDGYPDCWBGB-QMMMGPOBSA-N	232.688	1.559	70	20	BDID	
C[C@H](c1ccncc1)S(=O)(=O)Cl	143598083	XNAKKFXDWCROPF-ZCFIWIBFSA-N	205.666	1.711	70	20	BDID	
COCC[C@H](C)NC(=O)c1ccc(O)nc1C	161110280	MJTKETZFPFHRLL-QMMMGPOBSA-N	238.287	1.250	70	20	BDID	
CCCNS(=O)(=O)N[C@@H]1CC[C@H](C)C1	160465766	RYIZQYIQTZOJLH-DTWKUNHWSA-N	220.338	1.009	70	20	BDID	
CC(C)(C)C(=O)NCCC(=O)NC1CC=CC1	160957476	SWYFWJUIZJZFCO-UHFFFAOYSA-N	238.331	1.374	70	20	BDID	
CC[C@H]1CN(C(=O)N[C@@H]2CCOC2)CCS1	159449794	QCALRTFKKRFUSF-ZJUUUORDSA-N	244.360	1.312	70	20	BDID	
CC1(C)[C@H]2CN(S(=O)(=O)Cl)C[C@H]21	306987668	ZINVUBFAPTZSLR-OLQVQODUSA-N	209.698	1.058	70	20	BDID	
COc1ccsc1C(=O)NC1(CO)CC1	159913431	RAIHINAKBUBLHP-UHFFFAOYSA-N	227.285	1.011	70	20	BDID	
CCCn1cncc1CS(=O)(=O)Cl	117508507	QHIIIVVNKFYEBV-UHFFFAOYSA-N	222.697	1.362	70	20	BDID	
CCC(C)(C)C(=O)N1CC[C@@H](CCN)C1	160000375	MOAJDZCFWWZKPE-SNVBAGLBSA-N	212.337	1.620	70	20	BDID	
CSc1cc(C(=O)NC[C@@H](C)CO)ccn1	160428986	CHNGXCYWKABRIZ-MRVPVSSYSA-N	240.328	1.162	70	20	BDID	
COc1cccnc1NC[C@]1(OC)CCOC1	160644243	FHZBAZLUPJQEFW-GFCCVEGCSA-N	238.287	1.308	70	20	BDID	
O=C(NOCc1cccnc1)C1CCCC1	160742938	XIFZATMRRSNZRF-UHFFFAOYSA-N	220.272	1.820	70	20	BDID	
COCC(C)(C)C(=O)Nc1ccn(C)n1	160765867	RHOUYSYWIZZODU-UHFFFAOYSA-N	211.265	1.031	70	20	BDID	
Cc1cnc(NC(=O)N[C@H]2CCOC2)s1	159397408	ROXQJCVBTDDIHR-ZETCQYMHSA-N	227.289	1.362	70	20	BDID	
CCC1(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)CCC1	160238627	AAFMWABQIDLYLP-TXEJJXNPSA-N	236.359	1.920	70	20	BDID	
COCC[C@@H](C)Nc1ncccc1OC	159467128	JVDOJMSLMVKNJL-SECBINFHSA-N	210.277	1.927	70	20	BDID	
CO[C@H]1CCC[C@@H](S(=O)(=O)Cl)C1	157451250	HWAUOHSZLJFCHX-NKWVEPMBSA-N	212.698	1.513	70	20	BDID	
COc1ccc([C@@H](NC(N)=O)C(F)(F)F)cc1	161498390	XVMXRHCMHIBBLC-MRVPVSSYSA-N	248.204	1.967	70	20	BDID	
CNc1nc(C(=O)N(C)C(C)C)cs1	160041516	QGDUXZCAVPFZDS-UHFFFAOYSA-N	213.306	1.665	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1ccsc1	160457372	RLTYDFLCXOVVPE-QMMMGPOBSA-N	241.312	1.820	70	20	BDID	
COCCNC(=O)[C@H](C)c1c(F)cccc1F	160459356	NQWMMPUSVPVVIZ-MRVPVSSYSA-N	243.253	1.831	70	20	BDID	
CC[C@@H](N[C@@H](C)C(N)=O)c1ccc(F)cc1F	160694226	LPCKFCOTDULFHM-WRWORJQWSA-N	242.269	1.879	70	20	BDID	
COCC(C)(C)C(=O)N1CCC[C@@H]([C@H](C)O)C1	160963680	LKTFWUFJOLQWBD-WDEREUQCSA-N	243.347	1.278	70	20	BDID	
CN(CCn1ccnc1)C[C@H]1CCCCO1	161448803	NRMXFTCAIJVBMD-GFCCVEGCSA-N	223.320	1.384	70	20	BDID	
CCn1c(=O)n(CCOC)c2ccccc21	161056942	YRTVXRBTRGNUFT-UHFFFAOYSA-N	220.272	1.469	70	20	BDID	
C[C@H](C(=O)N[C@@H]1CCC[C@@H]1CO)C1CC1	217981613	DVWMIOVDDFMVCL-JMJZKYOTSA-N	211.305	1.310	70	20	BDID	
CCNC(=O)C(C)(C)CNc1cc(C)ncn1	161351031	ZDRFNUCPMKHGIN-UHFFFAOYSA-N	236.319	1.359	70	20	BDID	
CC[C@@H](C)N(C)c1cc(COC)nc2ncnn12	160441338	BJPNNCCWFYYCQZ-SECBINFHSA-N	249.318	1.505	70	20	BDID	
C[C@@H](NC[C@H]1CCCC[C@@H]1O)C1CCOCC1	160653752	IAUSRMZYUYHBRS-BNOWGMLFSA-N	241.375	1.942	70	20	BDID	
CN(CC(C)(C)C)C(=O)N[C@H]1CCOC1	159443507	REKGHZANJYBFEC-VIFPVBQESA-N	214.309	1.463	70	20	BDID	
Cn1cccc1C(=O)Cn1cnc2c1CCCC2	216892435	QHMOYWOXVUNXPF-UHFFFAOYSA-N	243.310	1.983	70	20	BDID	
CN(C)CC(=O)Nc1n[nH]c2ccccc12	218027476	IQJUJVUPYJZDPE-UHFFFAOYSA-N	218.260	1.063	70	20	BDID	
O=S(=O)(Cl)[C@H]1CCCC12CCOCC2	300954929	PMNWYHLNTDIUPY-QMMMGPOBSA-N	238.736	1.904	70	20	BDID	
CCCN(CCO)Cc1cccc2c1OCO2	161207613	LDLASNZEDMLHIC-UHFFFAOYSA-N	237.299	1.620	70	20	BDID	
CC(C)[C@@H]1NC(=O)N(Cc2nccs2)C1=O	161214688	UWRPPNBHUNDTHR-QMMMGPOBSA-N	239.300	1.220	70	20	BDID	
NC(=O)NCCc1cc2ccccc2o1	160779226	NAFWAHJTWXAEMD-UHFFFAOYSA-N	204.229	1.644	70	20	BDID	
CC[C@H](C(=O)N[C@@H](C)CC(C)(C)OC)N(C)C	160893895	QMDRCNKDOAJJAZ-WDEREUQCSA-N	244.379	1.646	70	20	BDID	
CC/C(=C/C(=O)NCC(N)=O)c1ccc(C)cc1	159848899	CYONJUVDVGMFAZ-FLIBITNWSA-N	246.310	1.390	70	20	BDID	
CCc1nc(CC)n(Cc2nnc(CC)o2)n1	160909285	HWVMMPOQOLERLR-UHFFFAOYSA-N	235.291	1.397	70	20	BDID	
COc1ccnc(N[C@H](CO)CC(C)(C)C)n1	161414396	CJCDSILLZBSDJU-VIFPVBQESA-N	239.319	1.694	70	20	BDID	
c1cncc(OCc2nc([C@H]3CCCN3)no2)c1	217829015	JYHPLIJTCQJROI-SNVBAGLBSA-N	246.270	1.468	70	20	BDID	
CCc1ncnc(NCCCN(C)C)c1F	217953031	DOZQNAKWYWLWJB-UHFFFAOYSA-N	226.299	1.542	70	20	BDID	
CC1(C)C[C@@H]1C(=O)NC1CCC(O)CC1	159649607	XXZDEAKQHDXNOZ-UDNWOFFPSA-N	211.305	1.452	70	20	BDID	
CCN1CC[C@H]2CC[C@@H](C1)N2CC(OC)OC	161474709	PRSKNJYEURIVPM-NEPJUHHUSA-N	242.363	1.164	70	20	BDID	
CCOC(=O)CCN(C)[C@@H](C)CCOC	161423813	GVYSKVRKKPZVQD-JTQLQIEISA-N	217.309	1.296	70	20	BDID	
CCOCCS(=O)(=O)NCC1(C2CC2)CC1	160113155	WXLPGBGQRIQDEO-UHFFFAOYSA-N	247.360	1.133	70	20	BDID	
CCC(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160308275	PDDARICKNQHPKD-UHFFFAOYSA-N	220.232	1.722	70	20	BDID	
CC1(C(=O)NS(=O)(=O)c2cccs2)CC1	160998361	URMOFPRMGMDDTH-UHFFFAOYSA-N	245.325	1.353	70	20	BDID	
CCC(=O)N1CC[C@@H](N[C@H](C)c2ccccn2)C1	159385735	GHBNWFKWMJVDAC-VXGBXAGGSA-N	247.342	1.743	70	20	BDID	
Cc1nnc2c(NCCOCC3CC3)nccn12	218052584	YINCRJATHANVAL-UHFFFAOYSA-N	247.302	1.271	70	20	BDID	
CC[C@H]1CN(C(=O)CNC2CC2)CCS1	159623426	HEPHFKVMLFSFJF-JTQLQIEISA-N	228.361	1.092	70	20	BDID	
COCC(=O)COc1ccc(Cl)cc1	161257998	KQBCABKCHYVGJJ-UHFFFAOYSA-N	214.648	1.934	70	20	BDID	
CCC[C@H](O)CN1CCCO[C@@H](C)C1	217595216	ILIOLQFNVGLTFH-QWRGUYRKSA-N	201.310	1.258	70	20	BDID	
O=S(=O)(Cl)C[C@@H]1C[C@@H]2CCCC[C@@H]2O1	306261768	XGXUIARIXZWTIU-CIUDSAMLSA-N	238.736	1.903	70	20	BDID	
CC[C@](C)(O)CNC1CCC(NC(C)=O)CC1	161253804	GTTJJVFBKUVMHW-BPCQOVAHSA-N	242.363	1.184	70	20	BDID	
CCOCCC1(C(=O)NCCN(C)C)CCC1	160558445	BGOWKXNOPJGDOE-UHFFFAOYSA-N	242.363	1.261	70	20	BDID	
CCN(C)C(=O)c1ccc(C(=O)NC(C)C)cc1	159806456	HWEHKFOCSKWECF-UHFFFAOYSA-N	248.326	1.917	70	20	BDID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1cc[nH]n1	159446209	AGDRDVBMWLOQSE-JTQLQIEISA-N	249.314	1.631	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)[C@H]1C[C@@H]1C1CC1	160630983	VAZZQWBMJQPYCD-UTUOFQBUSA-N	225.332	1.556	70	20	BDID	
CCC(C)(C)NC(=O)c1snnc1C	216841187	IGHWNVRONZGSBH-UHFFFAOYSA-N	213.306	1.765	70	20	BDID	
CSCC[C@H](C)NCc1cn(C)nc1C	160152388	QJLMUUPDKFHOII-VIFPVBQESA-N	227.377	1.960	70	20	BDID	
CCC[C@H](C)C(=O)NC1(C)CCNCC1	160572409	WRAXLWNGAYNLMN-JTQLQIEISA-N	212.337	1.681	70	20	BDID	
C[C@@H](CO)SCC(=O)N1CCCC[C@@H]1C	160739767	ASKDQWQHNFAARZ-UWVGGRQHSA-N	231.361	1.501	70	20	BDID	
CC[C@@](C)(O)CN[C@@H](C)c1cscn1	161192534	OHPFCUUXPQBFDY-WCBMZHEXSA-N	214.334	1.955	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)CC	160372784	NGQMNKSGHLCXJP-DTWKUNHWSA-N	215.293	1.490	70	20	BDID	
CC(C)CONC(=O)Nc1cccn(C)c1=O	160478903	VUCXJWBSQXMQHA-UHFFFAOYSA-N	239.275	1.094	70	20	BDID	
CC[C@H](C)CS(=O)(=O)NCc1ccncc1	159490968	AQOSTYNLWMUZMA-JTQLQIEISA-N	242.344	1.547	70	20	BDID	
C[C@H]1CC[C@H](C(=O)NCCNC(C)(C)C)O1	159805212	FFQOAGSRLNYLIH-VHSXEESVSA-N	228.336	1.058	70	20	BDID	
O=C(Cl)C1(CS(=O)(=O)Cl)CC1	100651828	TUWWWOKKYMWTKR-UHFFFAOYSA-N	217.073	1.101	70	20	BDID	
C[C@H]1NCCC[C@H]1NC(=O)c1ccoc1	160539303	HJEVWMUPPVELBZ-PSASIEDQSA-N	208.261	1.150	70	20	BDID	
CC(C)CCC(=O)NCC1=CCNCC1	160514188	ITYNWVRQTBABLL-UHFFFAOYSA-N	210.321	1.459	70	20	BDID	
C[C@H](CC(N)=O)N[C@H](C)c1ccsc1	160671694	ALXWBZDETFPLDW-HTQZYQBOSA-N	212.318	1.663	70	20	BDID	
O=S(=O)(Cl)Cc1cccc2c1OCC2	216744340	NPAXWBGKOWTINV-UHFFFAOYSA-N	232.688	1.690	70	20	BDID	
O=C(Nc1nccs1)[C@@H]1CC(F)(F)CN1	217911107	DJCSIDQUBCHSDH-YFKPBYRVSA-N	233.243	1.079	70	20	BDID	
CS[C@@H](C)CNc1nccn2cnnc12	161424440	QULDTHSVICGHLZ-ZETCQYMHSA-N	223.305	1.288	70	20	BDID	
CN[C@H]1CCN(C(=O)[C@@H](C)c2cccnc2)C1	160531633	VCDWZDBIZFVJMH-JQWIXIFHSA-N	233.315	1.005	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cc(C(N)=O)c[nH]1	159621715	WEEXDKQKVJRVOX-WPRPVWTQSA-N	249.314	1.422	70	20	BDID	
CCCNS(=O)(=O)Cc1c(F)cccc1F	160015230	HVNXPALUKJGGLZ-UHFFFAOYSA-N	249.282	1.794	70	20	BDID	
CCC(C)(CC)NC(=O)[C@H]1CCCNC1	160040847	KDHGSDBFNFEUHV-JTQLQIEISA-N	212.337	1.681	70	20	BDID	
CC[C@H](CCO)NC(=O)c1ccc(Cl)o1	160134409	ODMJMCVTNHHURL-SSDOTTSWSA-N	231.679	1.824	70	20	BDID	
COc1ccc(C(=O)NCC(F)F)c(F)c1	217716155	PZEANKYLNCCFRT-UHFFFAOYSA-N	233.189	1.829	70	20	BDID	
CCNCCNCc1c(F)cccc1F	161287003	PTWSSPYHWOQXRZ-UHFFFAOYSA-N	214.259	1.664	70	20	BDID	
C[C@@]1(CNc2ncccn2)CCCNC1	160003354	QPLNRGPJVWTBSA-LLVKDONJSA-N	206.293	1.278	70	20	BDID	
CSCCN(C)C(=O)CCC(C)=O	160031680	ZTSXOQUGXBYYIM-UHFFFAOYSA-N	203.307	1.177	70	20	BDID	
CC[C@@H](C(N)=O)N(C)OCc1ccccc1	159633302	OQVKKBFLBNUTAC-NSHDSACASA-N	222.288	1.314	70	20	BDID	
CC[C@H](C)[C@H](NCCC(C)(C)O)C(=O)OC	159806119	WQZLKJKTASOEDI-UWVGGRQHSA-N	231.336	1.325	70	20	BDID	
CCCNC(=S)N[C@@]1(C)CCOC1	160041300	VAWIQLUFWWUXQS-VIFPVBQESA-N	202.323	1.040	70	20	BDID	
CCC[C@@H](C)C(=O)N(CC)CCCO	160304018	VYNPBKVHBQHJOI-SNVBAGLBSA-N	201.310	1.654	70	20	BDID	
CC(C)(CCO)NC(=O)c1cccs1	160775881	ZOIKRLOQNDNQPZ-UHFFFAOYSA-N	213.302	1.639	70	20	BDID	
Cc1noc(S(=O)(=O)Cl)c1Cl	521399126	IPWIBJUUFUIKSC-UHFFFAOYSA-N	216.045	1.564	70	20	BDID	
CCc1cccc(CC(=O)N(C)C[C@H](C)O)c1	160098341	RLFXNYVYPKPMFW-NSHDSACASA-N	235.327	1.631	70	20	BDID	
Cc1ccnc(N2CCC(n3ccnn3)CC2)c1	160197118	LUUBBHIDSZKEJS-UHFFFAOYSA-N	243.314	1.823	70	20	BDID	
Cc1noc(C)c1C(=O)NOCc1cccnc1	160800464	UJBAUARFXJWTNW-UHFFFAOYSA-N	247.254	1.548	70	20	BDID	
CC(C)CN(CC(N)=O)C(=O)[C@@H]1CC=CCC1	159768022	XHXRZIQCKZYRNM-LLVKDONJSA-N	238.331	1.313	70	20	BDID	
OC[C@@H]1CCCCN1CCCN1CCCCC1	160569035	KQFOABMTUWWMLQ-AWEZNQCLSA-N	240.391	1.709	70	20	BDID	
CN1CCC(N(C)C(=O)Nc2cccnc2)CC1	217264662	SBQGHFORUDIKKZ-UHFFFAOYSA-N	248.330	1.640	70	20	BDID	
O=C(/C=C\c1ccccc1)NCc1ncc[nH]1	216999406	HRCQGFDSBZJYFG-SREVYHEPSA-N	227.267	1.739	70	20	BDID	
N[C@@H]1CCN(Cc2cc(O)cc(F)c2)C1	159743177	ZSQOKZJVGJGNEE-SNVBAGLBSA-N	210.252	1.064	70	20	BDID	
CC(C)(C)CC(=O)N1CC[C@H](CCN)C1	159983599	VTOJJNDJHFAMMB-JTQLQIEISA-N	212.337	1.620	70	20	BDID	
CC[C@H](C)[C@H](C)NC[C@@H](O)COC(C)C	218781374	NDZWGOMVCFUZBX-SDDRHHMPSA-N	217.353	1.797	70	20	BDID	
CCN(CCN)C(=O)C1[C@H]2CCCC[C@H]12	161434539	MPBKGLDUOGYLOF-UWVGGRQHSA-N	210.321	1.230	70	20	BDID	
CS[C@H](C)CC(=O)Nc1cc(C)nn1C	160255572	IDMYQERAXKOLRM-MRVPVSSYSA-N	227.333	1.809	70	20	BDID	
C[C@H]1OCC[C@H]1SCCn1ccnc1	160332113	NYKSXYMIMIXDAY-NXEZZACHSA-N	212.318	1.794	70	20	BDID	
COC(=O)CCCNC(=O)C1=C(C)OCCC1	160355808	HPEAPIXHBMFRFZ-UHFFFAOYSA-N	241.287	1.140	70	20	BDID	
C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCOC1	159401773	JWIWRCHXWXEOCL-BBBLOLIVSA-N	212.293	1.263	70	20	BDID	
CN(Cc1ccco1)C(=O)N[C@@H]1CCOC1	159451862	CDLGQYMCOOQGNX-SECBINFHSA-N	224.260	1.210	70	20	BDID	
O=C(NC1CC=CC1)c1[nH]nc2c1CCCC2	160985256	ZBCYFGJSNKRNHU-UHFFFAOYSA-N	231.299	1.737	70	20	BDID	
O=C(O)[C@H]1Cc2ccc(S(=O)(=O)F)cc2C1	1887504658	DDEALRZUKKMCDI-QMMMGPOBSA-N	244.243	1.144	70	20	BDID	
O=C(COc1cccnc1)N1[C@H]2C=CC[C@H]1CC2	218738602	XEJGMOMEIQQKSC-RYUDHWBXSA-N	244.294	1.780	70	20	BDID	
C/C=C/C=C/C(=O)NC[C@@](C)(O)CSC	217643842	IRCCSNQODNPUHL-ILMMAJNQSA-N	229.345	1.349	70	20	BDID	
CC[C@@H]1COCCN1CCCN1CCCCC1	161134070	CRPGXUNGSUOWDX-CQSZACIVSA-N	240.391	1.973	70	20	BDID	
CC[C@@H](O)CCN[C@H](C)c1cscn1	161227317	XMKVYTNIPOYFRF-RKDXNWHRSA-N	214.334	1.955	70	20	BDID	
CCC[C@@H](O)CN[C@H]1CCCOCC1	161444008	MSBHVDDOYRMYKD-WDEREUQCSA-N	201.310	1.306	70	20	BDID	
O=S(=O)(Cl)c1c(F)ccc(O)c1F	104535516	JZXUSBODOOOBFZ-UHFFFAOYSA-N	228.603	1.598	70	20	BDID	
CC[C@@H]1C[C@H](S(=O)(=O)Cl)CCO1	112132167	CFOTZHJKEODDHJ-RNFRBKRXSA-N	212.698	1.513	70	20	BDID	
Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2CN)o1	160224657	USCCAHBUCBXUHH-XUIVZRPNSA-N	234.299	1.551	70	20	BDID	
CCc1nc(CN(C)[C@@H](C)c2cnn(C)c2)n[nH]1	160656320	YLLWDXHAROOYNY-VIFPVBQESA-N	248.334	1.294	70	20	BDID	
C[C@H](NC(=O)Nc1cnn(C)c1)C1CCC1	159804373	UWYLZLFVVGGUPN-QMMMGPOBSA-N	222.292	1.730	70	20	BDID	
COCCCNC1CCC(NC(C)=O)CC1	161214445	YUSFDKLLJADRGM-UHFFFAOYSA-N	228.336	1.060	70	20	BDID	
CC1(C)CN(S(=O)(=O)Cl)CCS1	135266472	MBOQMKQTZPFJJM-UHFFFAOYSA-N	229.754	1.297	70	20	BDID	
CN(C)CC(=O)N[C@H]1CCOC2(CCCC2)C1	160043070	RLDYUXCSBLOUIS-NSHDSACASA-N	240.347	1.156	70	20	BDID	
COc1cccnc1NC[C@@H](C)N(C)C	160213934	UTBKRQQTHJVTNT-SECBINFHSA-N	209.293	1.452	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)C1(C)CC1	160588144	HUOYHBTVGYSMSD-MRVPVSSYSA-N	213.277	1.244	70	20	BDID	
CCc1ccccc1C(=O)NCCCNC(C)=O	160982319	CUGFGJWKBVUVEZ-UHFFFAOYSA-N	248.326	1.505	70	20	BDID	
CCC(=O)Nc1cccn(CC(F)(F)F)c1=O	159424181	WBXUCSDBAIBFBF-UHFFFAOYSA-N	248.204	1.759	70	20	BDID	
CCS(=O)(=O)N[C@@H](C)Cc1c(C)noc1C	159879043	KQNKVCVNTDXYOF-ZETCQYMHSA-N	246.332	1.162	70	20	BDID	
C1=C(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)COCC1	159647479	QVRYSUPGTLYLSC-MCIONIFRSA-N	249.354	1.880	70	20	BDID	
C[C@H](NCCC(C)(C)O)c1nnc2ccccn12	159776396	LZBYMDNVOQFXMW-JTQLQIEISA-N	248.330	1.541	70	20	BDID	
Cc1cc2cc(S(=O)(=O)F)ccc2[nH]c1=O	675064835	UIDDYZUGMGTLMX-UHFFFAOYSA-N	241.243	1.495	70	20	BDID	
Cc1ncccc1C(=O)NC1CC=CC1	161056837	CGVBJFPURWQUJS-UHFFFAOYSA-N	202.257	1.838	70	20	BDID	
C[C@@H]1CN(C(=O)N[C@@H]2CCOC2)CC[C@H]1C	160865972	QGGNFIAISCIBKV-GMTAPVOTSA-N	226.320	1.463	70	20	BDID	
Cc1cnn(CCC(=O)NCC2(C3CC3)CC2)c1	159851956	UZAHKOSUNFVOOE-UHFFFAOYSA-N	247.342	1.888	70	20	BDID	
CC[C@@H](C)OCC(=O)Nc1nc(C)no1	159886240	IFUMYIAUVZDXRS-ZCFIWIBFSA-N	213.237	1.132	70	20	BDID	
CCC[C@@H](N)C(=O)NC[C@H]1CCc2ccccc21	159732466	OHTASXJYVDQDRZ-TZMCWYRMSA-N	246.354	1.960	70	20	BDID	
Cc1ccc(CC(=O)NC[C@H](O)C(C)C)cn1	159768136	PJIRGYDQBQJJTF-LBPRGKRZSA-N	236.315	1.066	70	20	BDID	
CCN(CCCO)C(=O)c1cscc1C	160314855	SYTYPWXLPYAJAN-UHFFFAOYSA-N	227.329	1.901	70	20	BDID	
CN[C@@H](C)c1nc(-c2ccoc2C)no1	160400230	VLUGOZBZLVLZGI-LURJTMIESA-N	207.233	1.918	70	20	BDID	
CCCCCC(=O)N[C@H]1CCC[C@H](N)C1	161394440	IJNSHAZLQTZAEH-QWRGUYRKSA-N	212.337	1.953	70	20	BDID	
COC(=O)c1scc(C)c1S(=O)(=O)F	238853399	JQGHEQUPFNDLKX-UHFFFAOYSA-N	238.261	1.501	70	20	BDID	
CC(C)OCCCNC(=O)[C@@H]1CCCCO1	161019153	SAQAIDGULOVBBK-NSHDSACASA-N	229.320	1.487	70	20	BDID	
CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)CNC	161384332	DFDITGSKAFNYMZ-AWEZNQCLSA-N	248.370	1.994	70	20	BDID	
CN(CC1CCOCC1)C(=O)NCC(F)F	159609733	TZOVPUFGKYFBKN-UHFFFAOYSA-N	236.262	1.320	70	20	BDID	
CCCN(CC)CCNC(=O)CO[C@@H](C)CC	159911940	QKRICZYARBPCJO-LBPRGKRZSA-N	244.379	1.650	70	20	BDID	
CON(C)C(=O)c1ccc2oc(C)nc2c1	217336357	JXVWBTVELKEFTC-UHFFFAOYSA-N	220.228	1.770	70	20	BDID	
CNCc1cc(Cl)cc(S(C)(=O)=O)c1	216831993	OOKYTFUNKHZOIR-UHFFFAOYSA-N	233.720	1.463	70	20	BDID	
O=C(Cn1cnc2ccccc21)NCC1CC1	161184764	YIGBVUPQBKYKJL-UHFFFAOYSA-N	229.283	1.563	70	20	BDID	
CN(C)C(=O)c1cc(=O)[nH]c2cc(F)ccc12	159408310	VKDDUFPQHWRQQP-UHFFFAOYSA-N	234.230	1.369	70	20	BDID	
CCc1noc(C)c1CS[C@@H](C)C(N)=O	159972515	PNNABZGLFUEZLM-ZETCQYMHSA-N	228.317	1.652	70	20	BDID	
CC(C)CC[C@@H](NC(=O)CN)C(C)(C)C	160071522	WOKNOUSDSAWTBH-SNVBAGLBSA-N	214.353	1.912	70	20	BDID	
CNC[C@@H]1CCCN1C(=O)CC[C@H]1CCOC1	161289346	KNYJNPAMQQWQSP-RYUDHWBXSA-N	240.347	1.014	70	20	BDID	
CC[C@H](CCO)NCc1ccnn1CC	160641678	BPKHBCMNHVXKRP-SNVBAGLBSA-N	211.309	1.154	70	20	BDID	
COCC[C@H](C)N1CCC[C@@](C)(O)C1	161007538	HPIAGUPCTLJFIN-WDEREUQCSA-N	201.310	1.258	70	20	BDID	
CSCCNC(=O)c1ccncc1F	161385630	DUHCVQFPDBFZPC-UHFFFAOYSA-N	214.265	1.314	70	20	BDID	
C[C@H]1CN([C@H](C)C(=O)OC(C)(C)C)CCO1	217725668	KQZIFKDUJIGXGS-VHSXEESVSA-N	229.320	1.437	70	20	BDID	
CC[C@@H](C)[C@@H](C)N[C@@H]1CCc2nc(C)nn2C1	160325285	IUSWPTQNMHWZGV-CKYFFXLPSA-N	236.363	1.926	70	20	BDID	
CCc1nsc(N[C@@H](C)C[C@H](C)O)n1	159685826	QKSAMBJGHWZAOO-BQBZGAKWSA-N	215.322	1.672	70	20	BDID	
COCC[C@H](C)NC(=O)c1ccnn1C(C)C	159721749	PSWSJQYIEAONDO-JTQLQIEISA-N	239.319	1.619	70	20	BDID	
COC(=O)CCNC(=O)[C@H]1CCC[C@@H](C)C1	159837019	GCRGCQLBOMZPMV-ZJUUUORDSA-N	227.304	1.492	70	20	BDID	
CC(C)S(=O)(=O)CCCN1CCC[C@@H](C)C1	160470502	GHOBBGFYRVWHTD-GFCCVEGCSA-N	247.404	1.932	70	20	BDID	
CCCCNC(=O)N[C@@H]1CC(=O)N(C(C)C)C1	217287980	FZGSKXFONYYZJB-SNVBAGLBSA-N	241.335	1.095	70	20	BDID	
CCn1ccnc1CN[C@@]1(C)CCOC1	160186892	UESCJSJMZMCXOZ-NSHDSACASA-N	209.293	1.172	70	20	BDID	
Cc1occc1-c1noc(C[C@H](C)N)n1	160397551	XKQBQIBFTSSDKC-LURJTMIESA-N	207.233	1.528	70	20	BDID	
Cc1nc(NC(=O)N[C@@H]2CCOC2)sc1C	159400142	NDFXRVOGJWGVNW-MRVPVSSYSA-N	241.316	1.670	70	20	BDID	
C[C@@H](CC(=O)NCCCN)c1cccc(F)c1	160063027	RMACWQSUMVINPD-JTQLQIEISA-N	238.306	1.784	70	20	BDID	
CC[C@H](C)OCC(=O)N(CC)CC(C)(C)O	160107527	WUAXYDYNDWZTOY-JTQLQIEISA-N	231.336	1.421	70	20	BDID	
COCC(=O)O[C@@H](c1ccccn1)C(F)(F)F	160112372	NHZJTKUQJBTJFN-VIFPVBQESA-N	249.188	1.875	70	20	BDID	
C[C@@H](C(=O)N(C)[C@@H](C)CO)N1CCCCCC1	160501926	CPTZTMNTYQBCJM-RYUDHWBXSA-N	242.363	1.090	70	20	BDID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)C(C)(C)C)CC2	160512609	QTMRRXRSLMKQTB-KOLCDFICSA-N	236.363	1.926	70	20	BDID	
CCO[C@@H]1CCCN(C(=O)CO[C@@H](C)CC)C1	161145079	UJYKXPXOKWFKCL-NWDGAFQWSA-N	243.347	1.829	70	20	BDID	
O=C(CCn1cccn1)NC1CC=CC1	161040135	PWCNYDMRHAEAPV-UHFFFAOYSA-N	205.261	1.108	70	20	BDID	
O=C(NCCc1cccs1)[C@H]1CCCCO1	160020856	LUEVYPNDLSOPQI-LLVKDONJSA-N	239.340	1.976	70	20	BDID	
CN(CCOCC1CC1)[C@H]1CCCCNC1=O	160295000	WOKMAIQNBYJLBM-LBPRGKRZSA-N	240.347	1.014	70	20	BDID	
CC[C@H](C)[C@H](N)C(=O)NCC1(C)CCC1	160830036	ZVXFGZZXKVOEGI-UWVGGRQHSA-N	212.337	1.666	70	20	BDID	
CC(C)N(C)CCCNCc1nccs1	218092209	YNIJSPCZCAMFBT-UHFFFAOYSA-N	227.377	1.963	70	20	BDID	
C[C@H](c1cnccn1)S(=O)(=O)Cl	100247539	RUZNDGBRTJAENW-RXMQYKEDSA-N	206.654	1.106	70	20	BDID	
CCn1cc(C(=O)N2[C@H](C)CC[C@H]2C)cn1	161502990	CWARNCMBFNBYAR-NXEZZACHSA-N	221.304	1.916	70	20	BDID	
Cc1cccc(F)c1NCc1cnnn1C	160299705	BXQALOYQDJIIAK-UHFFFAOYSA-N	220.251	1.875	70	20	BDID	
COc1cc(CCNC(=O)[C@H](C)N)ccc1C	160317681	QVMQZVXXTGSMNB-JTQLQIEISA-N	236.315	1.010	70	20	BDID	
Cc1cc(NC(=O)c2ccoc2)c[nH]c1=O	159613494	USMIUGAMGWNOFY-UHFFFAOYSA-N	218.212	1.529	70	20	BDID	
CCOC(C)(C)CNC(=O)c1ccccc1O	159486884	WVYUCMJXOZUGGQ-UHFFFAOYSA-N	237.299	1.937	70	20	BDID	
NCC(=O)NCCCCCOC1CCCCC1	159533651	RRBRCVIMUAYOPP-UHFFFAOYSA-N	242.363	1.581	70	20	BDID	
CCc1nn(C)cc1CNC1CC(C)C1	161398237	LZDKTYJVXSFPBX-UHFFFAOYSA-N	207.321	1.871	70	20	BDID	
CCNC(=S)NCc1ccncc1C	160604319	SUXNRRATXLOLND-UHFFFAOYSA-N	209.318	1.374	70	20	BDID	
CC[C@H](C)OCC(=O)N[C@H]1CCCSC1	160830689	IITCRMFBUIHMFF-UWVGGRQHSA-N	231.361	1.813	70	20	BDID	
CCc1nc(CN(C)[C@@H](C)c2ccncc2)n[nH]1	159613666	BVNRQVAVFVLEOU-JTQLQIEISA-N	245.330	1.955	70	20	BDID	
CCOC(C)(C)CNc1ccnc(C(N)=O)c1	159515465	YUTTXEQQQJXWDX-UHFFFAOYSA-N	237.303	1.408	70	20	BDID	
Cc1nccn1CCCN(C)CC1CC1	161428204	BXWHJNFILVBSLK-UHFFFAOYSA-N	207.321	1.923	70	20	BDID	
CCCC(=O)N1CCc2ncncc2C1	218059204	AVSBRLASSCEPOG-UHFFFAOYSA-N	205.261	1.161	70	20	BDID	
COc1ccnc(N[C@]2(C)CCOC2)n1	160080247	AOOMYLVEDXMGNS-SNVBAGLBSA-N	209.249	1.076	70	20	BDID	
COC[C@H]1CCN(C(=O)N2CCC[C@@H](C)C2)C1	160616480	XYHLHSAVEPCCMB-NEPJUHHUSA-N	240.347	1.807	70	20	BDID	
CCCC[C@H](C(=O)OC)N(C)CCCOC	160798384	BFTIKGKARNZXPM-LLVKDONJSA-N	231.336	1.687	70	20	BDID	
C[C@H]1CCCN(CCCCS(C)(=O)=O)C1	161082782	GIZASRTUOMFYLZ-NSHDSACASA-N	233.377	1.543	70	20	BDID	
COCC[C@@H](C)N[C@@H](CCO)CSC	160376781	FJGCFCMZXBEPJX-ZJUUUORDSA-N	221.366	1.115	70	20	BDID	
Cc1nc2ccccn2c1CN1CC[C@H](O)C1	160387695	BNAVAFSJSJOESJ-NSHDSACASA-N	231.299	1.209	70	20	BDID	
CC(C)CCn1ccc(NC(=O)NCCO)n1	160788161	FMRPZGYTLURKFG-UHFFFAOYSA-N	240.307	1.043	70	20	BDID	
C[C@@H]1CCC[C@H](C(=O)NCC(C)(C)C(N)=O)C1	160883676	JKURXABBGZAPDZ-ZJUUUORDSA-N	240.347	1.440	70	20	BDID	
CNC[C@H]1CCCN1C(=O)CC[C@@H]1CCOC1	161289276	KNYJNPAMQQWQSP-VXGBXAGGSA-N	240.347	1.014	70	20	BDID	
O=C(/C=C\c1cccnc1)N1CC(O)(C2CC2)C1	216961729	IUNSCHHIYGPFAK-UTCJRWHESA-N	244.294	1.078	70	20	BDID	
C[C@H]1CCCc2ncc(S(=O)(=O)Cl)n21	100468242	HIQPRDRUSZNRHG-LURJTMIESA-N	234.708	1.708	70	20	BDID	
C[C@H](N)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C	161175432	LIQDDMOPYPRDTH-HBNTYKKESA-N	242.363	1.291	70	20	BDID	
Cc1[nH]ncc1CCCNC(=O)NC1CC=CC1	160290656	IXGBVSQQRHPTMM-UHFFFAOYSA-N	248.330	1.669	70	20	BDID	
CC(C)[C@@H](C)CC(=O)N(C)[C@@H](C)CO	160368791	MIHDMQURHTVDFR-UWVGGRQHSA-N	201.310	1.508	70	20	BDID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NCC(F)(F)F	159691757	LMNHTXJGZHCRPE-HTRCEHHLSA-N	237.221	1.670	70	20	BDID	
CSCC[C@@H](C)N(C)C(=O)[C@]1(F)CCNC1	159723227	XJKZXFCOSSVOED-KOLCDFICSA-N	248.367	1.288	70	20	BDID	
CCN1CCN(C(=S)NC(C)C)C[C@H]1C	159746005	SSJXCVDHJMQRNM-SNVBAGLBSA-N	229.393	1.295	70	20	BDID	
CC[C@@H](O)CCN[C@H](C)c1ccccn1	159389155	FGLIZKXGEUMIHA-GHMZBOCLSA-N	208.305	1.893	70	20	BDID	
COC[C@@H](C)N[C@H](C)c1cscn1	161127503	CYEWUGBEFFGBGP-HTQZYQBOSA-N	200.307	1.829	70	20	BDID	
CC(C)[C@@H](O)CN[C@@H](C)c1ccncc1	161234614	DOSRMNSFKWEAIU-JQWIXIFHSA-N	208.305	1.749	70	20	BDID	
CN(C[C@@H]1CCCNC1)C[C@H]1CCCO1	218423036	VSSMFRZEVFEYCB-VXGBXAGGSA-N	212.337	1.097	70	20	BDID	
CCOCCCNC(=O)[C@H]1CCCCO1	161012242	KFSDLGGPBGVASI-SNVBAGLBSA-N	215.293	1.098	70	20	BDID	
CCC[C@@H](O)CN[C@@H](C)c1cscn1	161195721	QUUZGBFQRFLOCI-DTWKUNHWSA-N	214.334	1.955	70	20	BDID	
COCCNC(=O)c1cc(C)c(F)c(C)c1	160457965	DFOZZNVDAYEDRW-UHFFFAOYSA-N	225.263	1.819	70	20	BDID	
C[C@H]1C[C@@H](C)CN(Cc2nncn2C)C1	160674495	PMBYTIODFVEBOC-AOOOYVTPSA-N	208.309	1.293	70	20	BDID	
COC[C@H](C)C(=O)Nc1ccc(OC)c(N)c1	161134219	IMVPWZBJRPJZID-QMMMGPOBSA-N	238.287	1.498	70	20	BDID	
COCCCCCCS(=O)(=O)Cl	112155108	DBMIOCYARVLTII-UHFFFAOYSA-N	214.714	1.762	70	20	BDID	
C[C@@H](O)CNC(=O)Nc1c(F)cccc1Cl	217313160	HJXDQLMGZAQSNJ-ZCFIWIBFSA-N	246.669	1.981	70	20	BDID	
CCN(C)C(=O)N[C@@H]1CCOC(C)(C)C1	159943566	FWCXQVYPDUIAFQ-SECBINFHSA-N	214.309	1.605	70	20	BDID	
CC[C@@H](C)N1CCN(C(=O)NC(C)(C)C)CC1	160517284	SENNSJHJUPZTAC-LLVKDONJSA-N	241.379	1.911	70	20	BDID	
C[C@H]1CCCCN1C(=O)CS[C@H](C)CO	160740010	ASKDQWQHNFAARZ-VHSXEESVSA-N	231.361	1.501	70	20	BDID	
CS[C@H](C)C(=O)Nc1cccc(F)n1	160784407	DUYJJCWHMYIBBS-ZCFIWIBFSA-N	214.265	1.911	70	20	BDID	
CO[C@@H]1CCC[C@H]1NCc1ccc(N(C)C)nc1	161231102	BTWJOTWFEKMLIY-CHWSQXEVSA-N	249.358	1.805	70	20	BDID	
COC(=O)NCCC(=O)N1[C@H](C)CC[C@H]1C	161497505	PBTPZKZBPLJQPJ-RKDXNWHRSA-N	228.292	1.132	70	20	BDID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCCc1ccco1	160558055	JHQNPIRBDQIWHE-MFKMUULPSA-N	249.310	1.944	70	20	BDID	
O=C(NCCC1CCC1)N[C@H]1CCOC1	159426789	OFFPYLOSRSQCFB-JTQLQIEISA-N	212.293	1.265	70	20	BDID	
CN(Cc1ccoc1)C(=O)N[C@@H]1CCOC1	159447328	SDVXQUBQVJTWPK-SNVBAGLBSA-N	224.260	1.210	70	20	BDID	
CC(=O)c1ccccc1NC(=O)c1ccn(C)n1	218004995	XHUABYAUWWXPDG-UHFFFAOYSA-N	243.266	1.875	70	20	BDID	
C[C@]1(NC(=S)NC2CCCCC2)CCOC1	160040910	QZFXKMASZYOLMD-LBPRGKRZSA-N	242.388	1.962	70	20	BDID	
CC[C@H](C)[C@@H](N)C(=O)Nc1nnc(C)s1	160914920	FPZHJGAETFEPNN-CAHLUQPWSA-N	228.321	1.158	70	20	BDID	
CCCCSCC(=O)N[C@H](CC)CCO	160131709	RRQHUAJWUGLIMP-SNVBAGLBSA-N	233.377	1.797	70	20	BDID	
CCCS(=O)(=O)NCc1ccncc1C	160682051	XKDPBNIQUUBZBY-UHFFFAOYSA-N	228.317	1.219	70	20	BDID	
CC(C)(C)C(=O)N1CCS(=O)(=O)C(C)(C)C1	160124201	RAKIJYOODDTNTE-UHFFFAOYSA-N	247.360	1.068	70	20	BDID	
CC(C)NC(=O)CN[C@H](C(C)C)C1CC1	160994499	CVMHKDMWBWTYKC-GFCCVEGCSA-N	212.337	1.535	70	20	BDID	
CC(C)CCN(C(=O)N[C@H]1CCOC1)C1CC1	159446037	DPUKWCFQRUZCNN-NSHDSACASA-N	240.347	1.995	70	20	BDID	
COc1ccc(N(C)C(=O)c2cc[nH]n2)cc1F	159768850	BNVRUJDZDYKNFV-UHFFFAOYSA-N	249.245	1.834	70	20	BDID	
CS[C@@H](C)C(=O)Nc1c[nH]c(=O)c(C)c1	159748326	ANYUUKQAMILNMK-ZETCQYMHSA-N	226.301	1.373	70	20	BDID	
Cn1ccc(C(=O)NCc2cccc(O)c2)n1	218196980	WKMVAIYVARHAPB-UHFFFAOYSA-N	231.255	1.056	70	20	BDID	
CNC(=O)C(C)(C)CNc1cncc(Cl)n1	161060869	JRMITCKQBBTXQF-UHFFFAOYSA-N	242.710	1.314	70	20	BDID	
Cc1cnccc1CN[C@@H]1CCN(C)C1	160594433	UEIBEFNEIQBRGV-GFCCVEGCSA-N	205.305	1.184	70	20	BDID	
CC[C@H](C)CN(CC)[C@@H](C)C(=O)NC(=O)NC	160558537	YMPIZGWQPSMZHN-UWVGGRQHSA-N	243.351	1.199	70	20	BDID	
C[C@@H]1CCC[C@H](N(C)Cc2nncn2C)C1	160776137	CUPNGMCIKXFNBR-MNOVXSKESA-N	222.336	1.826	70	20	BDID	
COCC(C)(C)C(=O)NC[C@H](C)SC	161377906	HCNHFCULSWJGQQ-QMMMGPOBSA-N	219.350	1.527	70	20	BDID	
CC1(C)C[C@H](Nc2ncnc3nc[nH]c23)CCO1	160706988	IGWHNQMISBBWEB-MRVPVSSYSA-N	247.302	1.722	70	20	BDID	
COc1cccnc1N[C@@H]1C[C@H]2CC[C@@H]1O2	160254111	JNHIZEBFQBZAIQ-BBBLOLIVSA-N	220.272	1.822	70	20	BDID	
CCCOCCCS(=O)(=O)Cl	112395413	UKJPVSOKNXGTNB-UHFFFAOYSA-N	200.687	1.372	70	20	BDID	
CCOC(C)(C)CNc1ncnc2c1cnn2C	159547273	QADRHNJGPXAVKH-UHFFFAOYSA-N	249.318	1.590	70	20	BDID	
CC[C@@H](CCO)NC(=O)[C@H](C)C(C)C	160117442	PTFMGBBKJKRMPZ-ZJUUUORDSA-N	201.310	1.556	70	20	BDID	
O=C([C@@H]1CCCCN1)N1CCC2(CCC2)C1	160620541	JLXIEDIHDVBZMB-NSHDSACASA-N	222.332	1.531	70	20	BDID	
NCCCCNC(=O)C1[C@@H]2CCCC[C@@H]12	161453650	LDSONOGIIMAYOP-NXEZZACHSA-N	210.321	1.278	70	20	BDID	
CC(C)(C)OS(=O)(=O)C(F)(F)F	114570784	JIEKWWJFWIGHDQ-UHFFFAOYSA-N	206.185	1.651	70	20	BDID	
CC[C@@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1262672497	AKZLLZHGUUYLBD-ZCFIWIBFSA-N	248.279	1.201	70	20	BDID	
CC[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C1CC1	161259422	KUYBKEFHXLITFN-KBPBESRZSA-N	246.354	1.861	70	20	BDID	
Cc1ccc(NC(=O)N(C)C[C@@H](C)O)cn1	161316158	FJGLHLZQSMMOLK-SECBINFHSA-N	223.276	1.235	70	20	BDID	
CC[C@H](NC(=O)[C@H](C)OC)c1c(C)noc1C	160698641	GDADHFDVMHYZNK-UWVGGRQHSA-N	240.303	1.894	70	20	BDID	
CCCC[C@H](COC)NC(=O)[C@H](C)CNC	159652403	NSPPPJYNWJHVML-GHMZBOCLSA-N	230.352	1.163	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cc[nH]n1	159758138	DUSRXKJYHPYCHS-IUCAKERBSA-N	207.277	1.718	70	20	BDID	
Cn1cnnc1CN1CCCc2ccccc21	160667166	OSVRZHCSFTYTRA-UHFFFAOYSA-N	228.299	1.768	70	20	BDID	
O=C(/C=C\c1ccco1)N1CC(O)(C2CC2)C1	216962556	LVMNUJXRUCKBSH-WAYWQWQTSA-N	233.267	1.276	70	20	BDID	
C[C@@H](NCc1nncn1C)c1cscn1	161154773	JPRSYFZWRJMYPA-SSDOTTSWSA-N	223.305	1.122	70	20	BDID	
CCc1cc(N[C@@]2(C)CCOC2)ncn1	160077535	KOFLNFGPMQMONN-NSHDSACASA-N	207.277	1.630	70	20	BDID	
Cc1cc(C(=O)NCCCN)nc2ccccc12	160025724	BEDPOVAXTYOBIH-UHFFFAOYSA-N	243.310	1.622	70	20	BDID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)C1(C)CC1)CC2	160513383	HFXHGMWXPKHBRN-KOLCDFICSA-N	234.347	1.680	70	20	BDID	
CC(C)NC(=O)CCCC(=O)NC1CC=CC1	160969977	XNGGYHMOEJZXBZ-UHFFFAOYSA-N	238.331	1.516	70	20	BDID	
CC(C)CCNC(=O)NOCc1cccnc1	160981885	SZBWBDFWFAABES-UHFFFAOYSA-N	237.303	1.859	70	20	BDID	
CC(C)CCN(C(=O)N[C@@H]1CCOC1)C1CC1	159445895	DPUKWCFQRUZCNN-LLVKDONJSA-N	240.347	1.995	70	20	BDID	
O=C(NC1CCCC1)N1CCc2ncncc2C1	218068902	KHCSPRJLDZAQOM-UHFFFAOYSA-N	246.314	1.487	70	20	BDID	
O=C(NCC1(C2CC2)CC1)c1ccc(O)nc1	159689286	FVRDAFAUYVUOER-UHFFFAOYSA-N	232.283	1.707	70	20	BDID	
Cc1nnc(S(=O)(=O)Cl)n1C(C)C	227583574	IQTDSFKDBWDEIY-UHFFFAOYSA-N	223.685	1.095	70	20	BDID	
CSCCCNC(=O)NC1(C)CCC1	161368866	AAAHEGQOHHCIQC-UHFFFAOYSA-N	216.350	1.981	70	20	BDID	
CC[C@H](C(=O)N[C@H](C)C1CCOCC1)N(C)C	160760544	LGBLAUMPKCURMP-ZYHUDNBSSA-N	242.363	1.258	70	20	BDID	
C1=C(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)COCC1	159647932	QVRYSUPGTLYLSC-IHRRRGAJSA-N	249.354	1.880	70	20	BDID	
CCOC(=O)CN(C)[C@@H](C)c1cccnc1	159533526	YTHZEGPNQCRLLG-JTQLQIEISA-N	222.288	1.638	70	20	BDID	
CC(C)(CNc1cccc(F)n1)C(N)=O	218121603	UGOCTAWXJUMFAM-UHFFFAOYSA-N	211.240	1.144	70	20	BDID	
CC[C@H](C)N(C)CCN[C@@H]1CCSC1	160066132	AHFLXBFNQIOJBM-WDEREUQCSA-N	216.394	1.812	70	20	BDID	
Cc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)ncn1	161136511	ZOSUIZNVXZDVFL-AOOOYVTPSA-N	235.287	1.034	70	20	BDID	
CNCCNCc1sccc1OC	161255162	OUQPVLDQBXZTGR-UHFFFAOYSA-N	200.307	1.066	70	20	BDID	
O=C(NCC1(C2CC2)CC1)[C@@H]1C[C@H]2CC[C@@H]1O2	160021941	OAPGZLANERJRMN-UTUOFQBUSA-N	235.327	1.860	70	20	BDID	
C[C@@H](C(=O)N(C)[C@H](C)CO)c1cccs1	160480644	CDEJYPHLZDLLDK-RKDXNWHRSA-N	227.329	1.691	70	20	BDID	
CCN(CC(F)(F)F)C(=O)[C@@H](C)OC	160529173	MQJWNJATGYHPGB-ZCFIWIBFSA-N	213.199	1.432	70	20	BDID	
CN(C)CC(=O)N[C@H]1[C@@H]2Cc3ccccc3[C@H]12	160600910	AABCADPDKSMKLZ-XBFCOCLRSA-N	230.311	1.003	70	20	BDID	
CCCNC(=O)CCCNC(=O)c1cccnc1	159591257	VAFVYMDJQZTXJY-UHFFFAOYSA-N	249.314	1.118	70	20	BDID	
C[C@@H]1CN(CCn2ccnc2)C[C@@H](C)S1	159853228	KRXFUGZWCOKQDR-GHMZBOCLSA-N	225.361	1.709	70	20	BDID	
CCC[C@H](C)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160359376	BSWUPDDERDFCCP-SDDRHHMPSA-N	224.348	1.776	70	20	BDID	
c1cn(CCN2CCC[C@H](N3CCCC3)C2)cn1	159755428	DJKXCHHDMWDGDN-AWEZNQCLSA-N	248.374	1.443	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)CCC1CC1	160853900	AZNPJAVYTTWBGU-NSHDSACASA-N	213.321	1.700	70	20	BDID	
COC(=O)[C@H](C)Nc1ccn(CCC(C)C)n1	159940946	BWKBGBHGSBRILO-JTQLQIEISA-N	239.319	1.903	70	20	BDID	
Cc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)ncn1	161157686	BXJKRBRFEQHVOH-NXEZZACHSA-N	233.315	1.903	70	20	BDID	
CC(C)[C@H]1NC(=O)N(Cc2nccs2)C1=O	161214569	UWRPPNBHUNDTHR-MRVPVSSYSA-N	239.300	1.220	70	20	BDID	
CCS(=O)(=O)N[C@@H](C)c1cccc(C)c1	160326871	YHMPPSJCUPDUIP-JTQLQIEISA-N	227.329	1.995	70	20	BDID	
CN(Cc1cccn1C)C(=O)[C@H]1C[C@@H]2CC[C@@H]1O2	160490066	XXPHIXCGUACVQQ-AVGNSLFASA-N	248.326	1.551	70	20	BDID	
CS[C@H](C)CC(=O)NCc1cnn(C)c1	160898367	BPRKYDCJJKZGKI-MRVPVSSYSA-N	227.333	1.178	70	20	BDID	
CN(C)C(=O)Cc1c[nH]c2cc(F)ccc12	159575021	JJCBHNQCIFYGHE-UHFFFAOYSA-N	220.247	1.938	70	20	BDID	
COC[C@H](C)NC(=S)N[C@H](C)CC(C)C	159571998	FAXAZUYAELHDFD-ZJUUUORDSA-N	232.393	1.920	70	20	BDID	
CC(C)(C)C1=CCN(C(=O)c2nnc[nH]2)CC1	160958148	SHANBWLNQIHWMU-UHFFFAOYSA-N	234.303	1.623	70	20	BDID	
C[C@H](CCO)CNC(=O)c1cc2ccccn2c1	161068654	PXENFDJHQKFUKX-LLVKDONJSA-N	246.310	1.688	70	20	BDID	
COc1c(C(=O)NC2CC=CC2)c(C)nn1C	160804429	ANINPMAJIFJZDF-UHFFFAOYSA-N	235.287	1.186	70	20	BDID	
CN(C)CCN(C)Cc1cc(O)cc(F)c1	159842885	CCLZCXQVOLXBMW-UHFFFAOYSA-N	226.295	1.525	70	20	BDID	
CN(C(=O)N1CCOCC1)c1ccc(F)cc1	160481887	AHUWSQRDSIDQAE-UHFFFAOYSA-N	238.262	1.714	70	20	BDID	
CCCC1(CNC(=O)c2cn[nH]c2)CC1	160683192	KAFFWGUARGWAJO-UHFFFAOYSA-N	207.277	1.720	70	20	BDID	
COCC[C@@H](C)NC(=O)c1ccnn1C(C)C	159721867	PSWSJQYIEAONDO-SNVBAGLBSA-N	239.319	1.619	70	20	BDID	
O=S(=O)(Cl)c1ccc(O)cc1F	104536816	HTUGYZBNNSBZTD-UHFFFAOYSA-N	210.613	1.459	70	20	BDID	
CCONC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	161202995	XWCPPSWGVNPPEB-BBBLOLIVSA-N	240.303	1.195	70	20	BDID	
CCOCCC1(CNC(=O)COCC)CCC1	160108778	TVVXHRJNAAPXGJ-UHFFFAOYSA-N	243.347	1.736	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H]1C[C@@H]1C	160299542	NGYDUCRYWABKPG-XHNCKOQMSA-N	213.277	1.100	70	20	BDID	
CCc1nc(CN[C@@H](CCO)C(C)(C)C)n[nH]1	160546787	XEAMOTVHERWITM-VIFPVBQESA-N	240.351	1.254	70	20	BDID	
CC(C)C[C@@H]1CCN(C(=O)[C@@H]2CSCN2)C1	159609737	KILCMSUZEPJBHF-QWRGUYRKSA-N	242.388	1.544	70	20	BDID	
CCCNC(=S)N[C@H]1CCOC(C)(C)C1	159748053	PRYYVSIIZQKDKL-VIFPVBQESA-N	230.377	1.818	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cnn(C)c1	159734623	TUZBOCPNTVODAY-ONGXEEELSA-N	221.304	1.729	70	20	BDID	
CCOC[C@H](C)Nc1ncccc1OC	159463826	YCCDFKMOUMTEDO-VIFPVBQESA-N	210.277	1.927	70	20	BDID	
O=C(CCCCO)N1C[C@@H]2CCC[C@H]2C1	160516170	GGOBQCSUYLZJRE-QWRGUYRKSA-N	211.305	1.408	70	20	BDID	
CCc1cc(CC)n(CCN2CCOCC2)n1	161002262	CMSAXWGPGQLESH-UHFFFAOYSA-N	237.347	1.340	70	20	BDID	
CC[C@@H](C)c1cc(C(=O)Nc2nnc[nH]2)on1	161025156	BCMLOKFBSBPSDM-ZCFIWIBFSA-N	235.247	1.559	70	20	BDID	
C[C@@H]1CC[C@H](CC(=O)N2CCC[C@@H]2CN)C1	160304709	MXHJOQABQBAKKU-GRYCIOLGSA-N	224.348	1.762	70	20	BDID	
CS[C@H](C)CNC(=O)NC1CC=CC1	160362592	XOBDEPBAUDLSDZ-MRVPVSSYSA-N	214.334	1.756	70	20	BDID	
CSCCNC(=O)NC1(C)CCC1	160481804	ARFWMVDQLOUPHH-UHFFFAOYSA-N	202.323	1.591	70	20	BDID	
CCC1(C)CCN(C(=O)N[C@@H]2CCOC2)CC1	159461776	LNYMUOUBCIPNHW-LLVKDONJSA-N	240.347	1.997	70	20	BDID	
CCCC[C@H](C(=O)OC)N(C)C[C@H](O)C1CC1	160847881	PAEBQQMGYQKAOG-NEPJUHHUSA-N	243.347	1.421	70	20	BDID	
CN[C@@H](C)C(=O)Nc1c(C)cccc1F	160323274	WKOBZUNKTZVBSE-QMMMGPOBSA-N	210.252	1.681	70	20	BDID	
C[C@@H](CCC(C)(C)C)NC(=O)[C@H](C)N	161228807	RMEFQVHMVTVQOJ-IUCAKERBSA-N	200.326	1.665	70	20	BDID	
COC[C@@H](C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1	161288635	ARUHKDBDCILCCA-BDAKNGLRSA-N	239.319	1.048	70	20	BDID	
C[C@H](C(=O)N(C)[C@H](C)CO)N1CCCCCC1	160501799	CPTZTMNTYQBCJM-VXGBXAGGSA-N	242.363	1.090	70	20	BDID	
CC[C@H](C)OCC(=O)N(C)Cc1ccccn1	159498552	SFCYTLSMOBIUJG-NSHDSACASA-N	236.315	1.855	70	20	BDID	
C[C@@H](O)CN(C)[C@@H]1CCN(c2ccccc2)C1=O	159368338	UWWKNYNXBYYUTH-DGCLKSJQSA-N	248.326	1.105	70	20	BDID	
Cc1ncccc1C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159907634	RIAJGGPXBLTHKC-TXEJJXNPSA-N	245.326	1.357	70	20	BDID	
CN(Cc1cccc(F)c1)Cc1cnnn1C	160457388	COCUNCPRZTWLKQ-UHFFFAOYSA-N	234.278	1.586	70	20	BDID	
C[C@H]1CN(Cc2nncn2C)c2ccccc21	160791863	DODKZGCHDXDICY-JTQLQIEISA-N	228.299	1.939	70	20	BDID	
CCN(C)C(=O)N[C@H]1CCN(C2CCCC2)C1	160865231	WSZLATDUEVKZOB-NSHDSACASA-N	239.363	1.665	70	20	BDID	
CCCCSCC(=O)N(CC)CCCO	160298482	XPOFJGVURUOVKR-UHFFFAOYSA-N	233.377	1.751	70	20	BDID	
COc1ccccc1C[C@H](C)NC[C@@H](C)N	218300618	UDXOIFGYNFHNMC-MNOVXSKESA-N	222.332	1.563	70	20	BDID	
COc1cccc(CS(=O)(=O)Cl)c1F	157450060	ORSDHGQRUMCQBX-UHFFFAOYSA-N	238.667	1.903	70	20	BDID	
Cn1cc(CNC(=O)[C@H]2CC2(C)C)cn1	160696366	AMMMBGYXLYMCMZ-SECBINFHSA-N	207.277	1.082	70	20	BDID	
CN(Cc1cccn1C)C(=O)c1ccnn1C	160709566	YYZZDCZVZNOIBS-UHFFFAOYSA-N	232.287	1.031	70	20	BDID	
Cc1[nH]nc2ncc(C(=O)NC3CC=CC3)cc12	160849450	OJYVQWZTAKHYHO-UHFFFAOYSA-N	242.282	1.715	70	20	BDID	
O=C(NC1CC=CC1)c1ccncc1F	160928912	RYFCUMBQZKQTQX-UHFFFAOYSA-N	206.220	1.669	70	20	BDID	
CC(C)(C)CC(=O)N1CC[C@@H](CCN)C1	159983715	VTOJJNDJHFAMMB-SNVBAGLBSA-N	212.337	1.620	70	20	BDID	
Cc1cncc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)c1	160600050	QQTYQYLVGDYFTK-BETUJISGSA-N	245.326	1.357	70	20	BDID	
CC[C@H](O)CCNC(=O)c1cncs1	218087325	QFVUOJLPASFIBD-ZETCQYMHSA-N	214.290	1.034	70	20	BDID	
CC[C@H](O)CCN[C@H]1CS[C@@H](C)C1	218753800	FCGHCGHXSNPEGX-AEJSXWLSSA-N	203.351	1.631	70	20	BDID	
O=S(=O)(Cl)[C@H]1CCCC[C@@H]1F	221501923	IAGUHAITTUUZQV-WDSKDSINSA-N	200.662	1.836	70	20	BDID	
Cn1c(C2CCCC2)nnc1S(=O)(=O)Cl	227589598	RTFJVPABQWHAIM-UHFFFAOYSA-N	249.723	1.400	70	20	BDID	
N#C[C@@H](CS(=O)(=O)Cl)C(F)(F)F	236135251	CSDCUBORVXPCRO-VKHMYHEASA-N	221.587	1.257	70	20	BDID	
Cc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)ncn1	161157539	BXJKRBRFEQHVOH-UWVGGRQHSA-N	233.315	1.903	70	20	BDID	
C[C@@H](CC(=O)Nc1ccnn1C)c1ccncc1	160303620	NRVPVQGIENWAHQ-JTQLQIEISA-N	244.298	1.947	70	20	BDID	
CN(Cc1nccn1C)C(=O)C1=CCCC1	159814752	XVZIQJYSUVDPMJ-UHFFFAOYSA-N	219.288	1.489	70	20	BDID	
CCn1cc(C(=O)NC[C@@H](O)C(C)(C)C)cn1	159639262	ODEQTNWVJOOPPK-SNVBAGLBSA-N	239.319	1.040	70	20	BDID	
Cc1cnccc1CNC(=O)NC(C)C	160604464	GETVCNVJJLADTQ-UHFFFAOYSA-N	207.277	1.598	70	20	BDID	
CNCCNCc1c(F)cccc1Cl	161272069	CQTJZBLBEBVVGI-UHFFFAOYSA-N	216.687	1.788	70	20	BDID	
COCCCC(=O)NCCc1cccc(O)c1	160194551	ZTYXTOVXLOWEJJ-UHFFFAOYSA-N	237.299	1.478	70	20	BDID	
CCCC1(CNC(=O)c2cc(C(N)=O)c[nH]2)CC1	160701559	DIWSSJNQSIQMCP-UHFFFAOYSA-N	249.314	1.424	70	20	BDID	
C[C@H](O)C[C@@H]1CCCN1C(=O)Nc1cccnc1	160823503	ICIZPFNCZKKPKB-JQWIXIFHSA-N	249.314	1.849	70	20	BDID	
C[C@@H]1CCC[C@H](CC(=O)N2CCNCC2)C1	159403831	VUFZEKYWJNXGHG-NEPJUHHUSA-N	224.348	1.635	70	20	BDID	
CCCC[C@@H](COC)NC(=O)[C@@H]1CCC[C@@H]1N	159648580	APZSSACNNQMMAA-TUAOUCFPSA-N	242.363	1.435	70	20	BDID	
CC1(C)CCN(C(=O)N[C@H]2CCOC2)C1	159549797	MCQPHBZJZCEOCD-VIFPVBQESA-N	212.293	1.217	70	20	BDID	
CC(C)C[C@H](F)CS(=O)(=O)Cl	257850037	MKBXFIYACVSASA-LURJTMIESA-N	202.678	1.939	70	20	BDID	
C/C=C/C=C/C(=O)NC[C@](C)(O)CSC	217643932	IRCCSNQODNPUHL-YMMJRAIESA-N	229.345	1.349	70	20	BDID	
Cc1nnc(NC(=O)[C@H]2CCCCO2)s1	159741428	CWNUPSKGPMFOQU-SSDOTTSWSA-N	227.289	1.354	70	20	BDID	
Cc1nsc(N[C@@H](C)[C@H]2CCOC2)n1	161419338	MKOWSMYEOKPJQU-XPUUQOCRSA-N	213.306	1.683	70	20	BDID	
C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCn2ccnc2C1	161441588	VFBODFIMVBVASN-UTUOFQBUSA-N	247.342	1.750	70	20	BDID	
CC[C@@H](C)c1cc(C(=O)NCCCN)on1	160039641	LHNOSTVHFFVORD-MRVPVSSYSA-N	225.292	1.267	70	20	BDID	
CC[C@@H](C)c1cc(C(=O)NC2(CO)CC2)on1	160267128	CBDUVGLWGOJHSU-MRVPVSSYSA-N	238.287	1.443	70	20	BDID	
O=C(NCC1=CCNCC1)C1CCCC1	160513161	IQGXCGVFJWTAIF-UHFFFAOYSA-N	208.305	1.213	70	20	BDID	
CNC(=O)Nc1ccn(CCC(C)C)n1	160622107	FJKJBOQSNOWNBI-UHFFFAOYSA-N	210.281	1.681	70	20	BDID	
C[C@@H](CO)S[C@H](C)C(=O)OC(C)(C)C	160738048	BBGQWKVZQIODPF-JGVFFNPUSA-N	220.334	1.831	70	20	BDID	
C[C@@H]1CCCN(C(=O)[C@@H]2CCCCO2)C1	160926207	MUNOWLPLWRCOFP-MNOVXSKESA-N	211.305	1.814	70	20	BDID	
O=C(NCC1(C2CC2)CC1)c1n[nH]c2c1CCC2	159887854	XFNGSTMFDQIXCB-UHFFFAOYSA-N	245.326	1.818	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1	159733715	SANOJIZGUIDVOY-HBNTYKKESA-N	238.331	1.160	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)CC[C@H]1CCOC1	160935124	VUKSVWYDIFJTHZ-NWDGAFQWSA-N	243.347	1.326	70	20	BDID	
CCN(CCCOC)Cc1cnn(C)c1	161124861	JSUQBTHBLXPVSJ-UHFFFAOYSA-N	211.309	1.279	70	20	BDID	
CS[C@H](C)CNC(=O)c1ccc(F)nc1	159462649	DMROMNKNMLMHGO-SSDOTTSWSA-N	228.292	1.702	70	20	BDID	
CC(=O)c1cnc(NC(=O)[C@@H]2CCCN2)s1	161087035	MABXOGIOYJANGW-ZETCQYMHSA-N	239.300	1.036	70	20	BDID	
CC(C)(C)OC(=O)NCCCn1cncn1	218015152	AMTCYQCFNBEUCW-UHFFFAOYSA-N	226.280	1.193	70	20	BDID	
COCCCN(C)C(=O)C[C@@H](C)SC	161298018	SWCKQQRPAUEMLE-SECBINFHSA-N	219.350	1.623	70	20	BDID	
CCCCS(=O)(=O)N[C@H](CC)COC	160335977	ROAIMSHZYOMJOG-SECBINFHSA-N	223.338	1.131	70	20	BDID	
CN(Cc1cc(O)cc(F)c1)[C@H]1CCOC1	159850150	FCIPVOOAOQMRAT-NSHDSACASA-N	225.263	1.752	70	20	BDID	
CCO[C@H](CC)C(=O)NCC1(N)CCCCC1	159714613	WAOJDQWYJQCGED-LLVKDONJSA-N	242.363	1.579	70	20	BDID	
C[C@H]1CC[C@H](CC(=O)N2CC[C@@H](N)C2)C1	160277901	LCAHDVSJJPNDOQ-GARJFASQSA-N	210.321	1.372	70	20	BDID	
C[C@@H](CC(N)=O)N[C@H](C)c1ccsc1	160671572	ALXWBZDETFPLDW-JGVFFNPUSA-N	212.318	1.663	70	20	BDID	
C[C@H]1CCN(S(=O)(=O)Cl)C[C@H]1C	253062156	FPNGBLICUGPTMO-NKWVEPMBSA-N	211.714	1.448	70	20	BDID	
CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)N)C12CCCC2	161110653	KJLQENRHMSEIHQ-HBNTYKKESA-N	240.347	1.188	70	20	BDID	
Cc1cccc(N(C)C(=O)C[C@H]2COC(=O)C2)c1	161241570	ZWMMFUOVUVVKMX-LLVKDONJSA-N	247.294	1.911	70	20	BDID	
CCOCCC1(C(=O)NCCCOC)CCC1	160532086	VULNMILXZMJAPQ-UHFFFAOYSA-N	243.347	1.736	70	20	BDID	
CSC(C)(C)CNC(=O)N[C@@H]1CCOC1	159418493	CAIHGANHFJUCSP-MRVPVSSYSA-N	232.349	1.216	70	20	BDID	
C[C@@H](N)C(=O)NC[C@H](C)c1ccc(F)cc1F	159492544	KUZMSDKZPDNUCJ-JGVFFNPUSA-N	242.269	1.532	70	20	BDID	
CCN(C)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	160893603	UHUKUMSCQJDLCI-MXWKQRLJSA-N	238.331	1.605	70	20	BDID	
C[C@H](N)C(=O)N[C@H]1c2ccccc2C[C@H]1C	159880729	JZEDQGPXBHPLOZ-VDDIYKPWSA-N	218.300	1.383	70	20	BDID	
Cc1ccsc1[C@H](C)N[C@H](C)CC(N)=O	160669094	NCSZPHBCRZBJOY-BDAKNGLRSA-N	226.345	1.971	70	20	BDID	
C[C@H](S[C@H](C)CO)C(=O)OC(C)(C)C	160737905	BBGQWKVZQIODPF-SFYZADRCSA-N	220.334	1.831	70	20	BDID	
Cc1cc(C)c(S(=O)(=O)F)cc1N	231522706	SZYXWJUVFUQQMY-UHFFFAOYSA-N	203.238	1.544	70	20	BDID	
CN[C@@H]1CCN(C(=O)CSC(F)(F)F)C1	160525944	OAXUQZWCGAIMKY-ZCFIWIBFSA-N	242.266	1.060	70	20	BDID	
COC[C@@H](C)N(C)Cc1ccc(CO)o1	161162988	MWPUKVZLTFOTQE-SECBINFHSA-N	213.277	1.239	70	20	BDID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)c1ccco1)CC2	160483177	SWMZUMUJENZYQP-ONGXEEELSA-N	246.314	1.845	70	20	BDID	
CC[C@H](C)OCC(=O)N[C@H](CO)CC(C)C	160889711	SNVLFDNSWIDNPN-QWRGUYRKSA-N	231.336	1.325	70	20	BDID	
CCC(C)(CC)C(=O)N1CCC[C@@H](O)C1	159432207	DAUVGMZZDGHQTH-SNVBAGLBSA-N	213.321	1.796	70	20	BDID	
CC(=O)N1CC[C@@H](NC(=O)[C@H]2CC=CCC2)C1	159689145	SLKBPNQDUBNGDR-NWDGAFQWSA-N	236.315	1.080	70	20	BDID	
CCOCC(=O)NC1CCC(OC(C)C)CC1	159532704	SPZYYLBIUNQVMI-UHFFFAOYSA-N	243.347	1.875	70	20	BDID	
C[C@H](NC(=O)CNC(C)(C)C)C1CCC1	160205491	LGJZQWLTUDRUNE-VIFPVBQESA-N	212.337	1.679	70	20	BDID	
N[C@H]1CCC[C@@H](NC(=O)c2cccnc2)C1	161005360	PUHCDSIYYROOJA-WDEREUQCSA-N	219.288	1.081	70	20	BDID	
O=C(NCCc1ccccn1)C(F)F	217631621	TXFQGCLYHSZUDN-UHFFFAOYSA-N	200.188	1.005	70	20	BDID	
Cc1ccc(C(=O)N2[C@@H](C)CC[C@H]2C)c(=O)[nH]1	161470943	SRPIEGZJXOPQDF-AOOOYVTPSA-N	234.299	1.696	70	20	BDID	
C[C@@H](Nc1nccn2cnnc12)C1CCC1	160064913	MMTUBNIBEARDSF-MRVPVSSYSA-N	217.276	1.725	70	20	BDID	
COC[C@H](N)C(=O)N(Cc1ccccc1)C1CC1	159620288	FFKMRVRRLQKCFI-ZDUSSCGKSA-N	248.326	1.151	70	20	BDID	
CCc1nnc(S(=O)(=O)Cl)n1C(C)C	133341201	SZPBWYBVIUIMLW-UHFFFAOYSA-N	237.712	1.349	70	20	BDID	
CCN(CCCO)Cc1cccc(O)c1	161300688	PUDYUMVIHJZCFG-UHFFFAOYSA-N	209.289	1.597	70	20	BDID	
C[C@H](c1cccnc1)N1CCC[C@@H](N)C1	217498592	BOGJLTOKQCOSOX-ZYHUDNBSSA-N	205.305	1.566	70	20	BDID	
CCNCCNCc1ccc(CC)cc1	161296755	XIHPHTNRHWUKFO-UHFFFAOYSA-N	206.333	1.948	70	20	BDID	
CC[C@H]1COCCN1Cc1cnc2ccccn12	160463769	DHAQCRLKZYDGKZ-LBPRGKRZSA-N	245.326	1.945	70	20	BDID	
CCC(CC)NC(=O)C(=O)Nc1nocc1C	159961015	JRIPQVOXFIHVCH-UHFFFAOYSA-N	239.275	1.226	70	20	BDID	
O=C(/C=C\c1ccccc1)NC[C@H]1CCCNC1	217464042	VZJTUUWOCPPTBM-CKXPSTMWSA-N	244.338	1.816	70	20	BDID	
C[C@H](O)C[C@@H]1CCCN1Cc1cscn1	159372650	LSPKEDCGFLVZCU-ONGXEEELSA-N	226.345	1.878	70	20	BDID	
CCOCCCNC(=S)N[C@]1(C)CCOC1	160042715	YZTBWPVKGVMZJX-LLVKDONJSA-N	246.376	1.056	70	20	BDID	
CN(CC1CC1)c1nc(Cl)nc2nc[nH]c12	160186928	IHCATLHNDAOTKJ-UHFFFAOYSA-N	237.694	1.853	70	20	BDID	
CN(C)[C@@H](CNC(=O)C(F)F)c1cccs1	217620236	IMTJMTCSMKVUBR-ZETCQYMHSA-N	248.298	1.732	70	20	BDID	
CCc1ncsc1C(=O)NCc1ccc[nH]1	161234033	NWGNLPSKKGQYGT-UHFFFAOYSA-N	235.312	1.964	70	20	BDID	
CCCC1(CNC(=O)COCCOC)CC1	160684573	RRWXVISPVJPUCG-UHFFFAOYSA-N	229.320	1.346	70	20	BDID	
CC(C)c1noc([C@H](C)N(C)C[C@@H](C)O)n1	159530915	ZLQFKNNUQLNWBJ-BDAKNGLRSA-N	227.308	1.567	70	20	BDID	
CCC[C@H]1CN(Cc2n[nH]c(CC)n2)CCO1	159574852	CCYITMBKBYWUBX-JTQLQIEISA-N	238.335	1.368	70	20	BDID	
CCCCCC(=O)NCC[C@@H](O)COC	161040616	KAOYAKJPMMVZGI-SNVBAGLBSA-N	217.309	1.080	70	20	BDID	
CC(C)C[C@H](C)NC(=O)NC[C@H]1CCCN1C	159710718	BXCQTDOJEFVKII-NWDGAFQWSA-N	241.379	1.814	70	20	BDID	
CCC[C@@H](O)CN[C@@H]1CCOC(C)(C)C1	217739436	BPIKKAGBROADHS-GHMZBOCLSA-N	215.337	1.695	70	20	BDID	
CC(=O)c1cnc(NC(=O)[C@H](N)C(C)C)s1	161087575	LQLXETMCNXSVPI-MRVPVSSYSA-N	241.316	1.268	70	20	BDID	
CC(C)Oc1ccccc1C(=O)N1CC(O)C1	161497648	AKXFKXUXFLJDFY-UHFFFAOYSA-N	235.283	1.291	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)CSC	160107822	FEISAMNLCHLSIA-RKDXNWHRSA-N	247.360	1.443	70	20	BDID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1ccn(C)n1	160179889	PGQYNNZMWXJZRR-LDYMZIIASA-N	207.277	1.795	70	20	BDID	
CN(CCO)C(=O)Nc1ccc(F)c(F)c1F	217309177	UDNFYAQQWRVSGU-UHFFFAOYSA-N	248.204	1.560	70	20	BDID	
CC(C)CN(C)C(=O)[C@]1(C)CCCCN1	159563504	AFYJPJBJGBLBJT-LBPRGKRZSA-N	212.337	1.633	70	20	BDID	
CSCC[C@@H](N)C(=O)N1CCC(C)(C)C1	159623970	LYPIPIQAXQVEGR-SECBINFHSA-N	230.377	1.325	70	20	BDID	
CC(C)OCCCNC(=O)[C@H]1CCCCO1	161019277	SAQAIDGULOVBBK-LLVKDONJSA-N	229.320	1.487	70	20	BDID	
COC[C@H](C)SCCCCS(C)(=O)=O	160959295	RZJGJPODXBZKMC-VIFPVBQESA-N	240.390	1.579	70	20	BDID	
COCCCCCSCCN1CCOCC1	159807298	ICRPRMUYANWXKV-UHFFFAOYSA-N	247.404	1.869	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)c1cc(C(N)=O)c[nH]1	159621947	WEEXDKQKVJRVOX-WCBMZHEXSA-N	249.314	1.422	70	20	BDID	
CONC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	159851201	XTOYFTRYFCZECJ-SFYZADRCSA-N	227.210	1.746	70	20	BDID	
CC1(NC(=O)C(F)(F)F)CCOCC1	159474167	DUOYCZDLXCJWQP-UHFFFAOYSA-N	211.183	1.234	70	20	BDID	
CCN1CCC(NC(=O)c2[nH]c(C)cc2C)CC1	159587200	IQDVNYOJDSEDCO-UHFFFAOYSA-N	249.358	1.846	70	20	BDID	
COC[C@H](NCc1cn2ccccc2n1)C1CC1	159442322	KIVWRWREZZHHPK-ZDUSSCGKSA-N	245.326	1.849	70	20	BDID	
CC[C@H](CSC)NCCS(=O)(=O)CC	217330046	RZUFUGWUEGLNAC-SECBINFHSA-N	239.406	1.152	70	20	BDID	
CON(C)C(=O)c1ccnc(C(F)(F)F)c1	217335182	HKDQEFXBQITRMJ-UHFFFAOYSA-N	234.177	1.734	70	20	BDID	
CN(Cc1nncn1C)CC1CCCC1	160873429	QEBHPSSTYBJBFX-UHFFFAOYSA-N	208.309	1.437	70	20	BDID	
CN(C)[C@@H](CNC(=O)C(F)F)c1ccccc1	217655941	WAWFQRFOJPTWJT-JTQLQIEISA-N	242.269	1.671	70	20	BDID	
CCCCn1ncc(C(=O)NC2CC2)c1C	160923115	VQMVUPPKWXOPNW-UHFFFAOYSA-N	221.304	1.884	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC(=O)NC1	159677831	UCOFWSITNYXNLO-AXFHLTTASA-N	238.331	1.208	70	20	BDID	
O=S(=O)(F)c1cnn(-c2ccccc2)c1F	675064621	NHRNWZRABMCOEG-UHFFFAOYSA-N	244.222	1.670	70	20	BDID	
CCOCCCN[C@@H]1C[C@H](O)C1(C)C	159546591	QVACMXGTVBHBKW-ZJUUUORDSA-N	201.310	1.162	70	20	BDID	
C1CCN([C@@H]2CCN(CCOCC3CC3)C2)C1	160334951	PHYXDAJGKCDPPL-CQSZACIVSA-N	238.375	1.583	70	20	BDID	
CCN1CCCC[C@H]1CN[C@@H](COC)C1CC1	161215185	OBIDWPBQPSQJSH-KBPBESRZSA-N	240.391	1.875	70	20	BDID	
O=C(C1=CCCC1)N1CCOC[C@@H]1C1CC1	161299182	VIXGKTBIEZUNKJ-GFCCVEGCSA-N	221.300	1.734	70	20	BDID	
Cc1cccc(C(=O)NCc2cc[nH]n2)c1F	161463323	PGFZEXCXWTYAIE-UHFFFAOYSA-N	233.246	1.787	70	20	BDID	
O=C(CC1(O)CCCC1)Nc1ccncc1O	161502487	SWBMGEXBZAOBCB-UHFFFAOYSA-N	236.271	1.421	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@H]1CCCS1	160171077	YKABRAUHDPFEOH-DTWKUNHWSA-N	245.344	1.340	70	20	BDID	
CCONC(=O)NC[C@@H](C)c1nc(C)cs1	159565477	WWFZMFAXXFEPDV-SSDOTTSWSA-N	243.332	1.806	70	20	BDID	
CSc1ccccc1CN(C)CCO	159592740	OLFAGJHTJJKRJP-UHFFFAOYSA-N	211.330	1.833	70	20	BDID	
C[C@H]1C[C@@H]1C(=O)NCC1(C)CCNCC1	159980190	FXZKYVYPCRAFNA-UWVGGRQHSA-N	210.321	1.148	70	20	BDID	
CCCCNC(=O)N1CC[C@H](CCN)C1	160009302	XGKYBSZIECAHCO-JTQLQIEISA-N	213.325	1.167	70	20	BDID	
CC(C)CNC(=O)N1C[C@@H](C)O[C@H](C)C1	217269394	DMANMBVGZVZBAL-NXEZZACHSA-N	214.309	1.461	70	20	BDID	
CN[C@@H]1CCN(C(=O)CCCCSC)C1	160537375	BQGPYHJQJIGKBS-SNVBAGLBSA-N	230.377	1.340	70	20	BDID	
O=C(NOCc1cccnc1)[C@H]1CC=CCC1	160731855	UOMDMAGHDVNUBY-LBPRGKRZSA-N	232.283	1.986	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cnns1	159554655	MPRNFHXFPUYMHH-SFYZADRCSA-N	225.317	1.847	70	20	BDID	
COC(=O)C[C@H](C)SCc1ccnn1C	161384620	HZRGWBDNRQRDEU-QMMMGPOBSA-N	228.317	1.605	70	20	BDID	
CCNC(=O)CNC(=O)c1ccc(C(C)C)nc1	160123607	ZIXYDMPZYSPCMM-UHFFFAOYSA-N	249.314	1.071	70	20	BDID	
Cc1cc(CN2CC[C@@H](N)C[C@H]2C)on1	218611148	NVJMGTXCHAFANL-NXEZZACHSA-N	209.293	1.295	70	20	BDID	
CCc1ncc(NC(=O)NCCSC)cn1	161188925	HCHJYJJTBGPGFX-UHFFFAOYSA-N	240.332	1.524	70	20	BDID	
CCNC(=O)CN(C)c1ccccc1F	161213060	IVDUZRVPBUHJOR-UHFFFAOYSA-N	210.252	1.398	70	20	BDID	
C[C@H]1CC[C@@H](CC(=O)NCC(C)(C)N)C1	160055748	BGBGNUADFQMMGZ-VHSXEESVSA-N	212.337	1.666	70	20	BDID	
Cc1cc(C)nc(N2CCOC[C@@H]2C2CC2)n1	159654934	SXVUPNMCKSJXIT-GFCCVEGCSA-N	233.315	1.709	70	20	BDID	
F[B-](F)(F)c1cccc(CN2CCOCC2)c1	2241739965	QCLPIGMIEVODJL-UHFFFAOYSA-N	244.045	1.573	70	20	BDID	
CCNC(=O)C(C)(C)CNc1cccc(F)n1	161341642	AYOSFARRENBKMI-UHFFFAOYSA-N	239.294	1.795	70	20	BDID	
CC[C@H](C)OCC(=O)NCc1ccnc(C)n1	159819014	ZEWRRNPQAHAGHA-VIFPVBQESA-N	237.303	1.216	70	20	BDID	
CCSCC[C@@H](C)NC(=O)CNC1CC1	159622221	NGRIFERUAXZETG-SECBINFHSA-N	230.377	1.386	70	20	BDID	
COC[C@H](C)N[C@H](C)c1cscn1	161127375	CYEWUGBEFFGBGP-JGVFFNPUSA-N	200.307	1.829	70	20	BDID	
Cc1cc(N[C@H](C)CN2CCOCC2)ccn1	160917707	RVTOYDCPHVWIPZ-GFCCVEGCSA-N	235.331	1.523	70	20	BDID	
Cc1cc(C(=O)Nc2ncnn2C)cc(C)c1F	161023524	PLNGTOLRTKIWPM-UHFFFAOYSA-N	248.261	1.823	70	20	BDID	
O=C(NC1CCCCCC1)N[C@@H]1CCOC1	159460266	WUKWBGFMINAAER-LLVKDONJSA-N	226.320	1.797	70	20	BDID	
CCOc1cc(Cl)ccc1NC(=O)CNC	161502272	UAEQLLTXBKWXFA-UHFFFAOYSA-N	242.706	1.897	70	20	BDID	
C[C@@H](NC(=O)C1(C)CC1)c1nnc2ccccn12	160138200	XIRLPHKUNCEQHN-SECBINFHSA-N	244.298	1.707	70	20	BDID	
C[C@H](CO)SCc1nnc(C(C)(C)C)o1	160713556	DOOHPXLLKRMRIZ-SSDOTTSWSA-N	230.333	1.981	70	20	BDID	
C[C@H](CCO)NCc1occc1Br	217820252	PZXIKHATXDHKEI-SSDOTTSWSA-N	248.120	1.903	70	20	BDID	
COCCCC(=O)NCC1(N)CCCCC1	159494415	HFYLVGNEMVFDCO-UHFFFAOYSA-N	228.336	1.191	70	20	BDID	
CC[C@H](C(=O)N(C)Cc1cccn1C)N(C)C	159530463	ZJCBDHMZYDMUDC-GFCCVEGCSA-N	237.347	1.324	70	20	BDID	
Cc1ccc(NC(=O)N[C@@H]2CCOC2)cc1	159390447	GKJKMRQLWHKVJW-LLVKDONJSA-N	220.272	1.905	70	20	BDID	
C[C@H](NC(=O)[C@@H]1CCCCO1)c1cccnc1	161057756	SKFLQXJGBNXZPU-JQWIXIFHSA-N	234.299	1.828	70	20	BDID	
CCOCCCN1CCC(n2cncn2)CC1	159910978	WIJYEUHYBUYKON-UHFFFAOYSA-N	238.335	1.342	70	20	BDID	
CCN(CC)C(=O)N(C)[C@@H]1CCSC1	159430048	IKSNVBQFTCSXIT-SECBINFHSA-N	216.350	1.886	70	20	BDID	
CCC[C@@H](C)C(=O)NCC1=CCNCC1	160511985	APGDXLVHBJDXFX-SNVBAGLBSA-N	210.321	1.459	70	20	BDID	
CC[C@H]1C[C@@H](S(=O)(=O)Cl)CCO1	112132172	CFOTZHJKEODDHJ-BQBZGAKWSA-N	212.698	1.513	70	20	BDID	
COC[C@H](O)CCNC(=O)CCCC(C)(C)C	161294502	GSAQIZXDBQTRTG-LLVKDONJSA-N	245.363	1.716	70	20	BDID	
Cc1ccnc(NC(=O)[C@@H]2CCCCO2)c1	160081710	RZNYOPBIUJJFPE-JTQLQIEISA-N	220.272	1.898	70	20	BDID	
CCCC(=O)N[C@@H](C)CC(=O)OCC	160716151	YUQFVSKGTHLMON-QMMMGPOBSA-N	201.266	1.244	70	20	BDID	
CCc1nc(CN[C@@H](C)c2cccnc2)n[nH]1	160276477	QDDHMPRNFUTVLQ-VIFPVBQESA-N	231.303	1.613	70	20	BDID	
NC1(CNC(=O)c2ccoc2)CCCCC1	159658566	VVWDUTJGFNFUCR-UHFFFAOYSA-N	222.288	1.671	70	20	BDID	
O=C(NC1CCSCC1)c1cccc(F)n1	160702233	JPSLVZDJUDHBDT-UHFFFAOYSA-N	240.303	1.846	70	20	BDID	
CCN(CC)C(=O)[C@H](C)S[C@H](C)CO	160753226	QKKBOFIMACFJOF-BDAKNGLRSA-N	219.350	1.357	70	20	BDID	
CCN(Cc1ccccn1)[C@@H](C)C(=O)N(C)C	161051756	WWERREHOUICEFV-NSHDSACASA-N	235.331	1.380	70	20	BDID	
Cc1cnc(CCS(=O)(=O)Cl)c(C)c1	306621061	VJMYWCINMZIFAM-UHFFFAOYSA-N	233.720	1.810	70	20	BDID	
CCC1(CC)CCN(C(=O)N[C@@H]2CCOC2)C1	159361641	OCKKKQPRLVHIBP-LLVKDONJSA-N	240.347	1.997	70	20	BDID	
O=C(N[C@H]1CCCSC1)c1cccc(F)n1	160742193	KXFBZPHOJLQNJP-QMMMGPOBSA-N	240.303	1.846	70	20	BDID	
CNc1ccc([N+](=O)[O-])cc1CS(=O)(=O)F	881737258	VVXYCGJNPFGVCB-UHFFFAOYSA-N	248.235	1.436	70	20	BDID	
CNc1ccccc1C(=O)NCC(C)(C)OC	160681418	HXXWGISCCFMFLN-UHFFFAOYSA-N	236.315	1.883	70	20	BDID	
C[C@@H]1CC[C@@H](C(=O)NCCc2cccc(O)c2)O1	159674047	CPTCCLXKCFKJAI-MFKMUULPSA-N	249.310	1.618	70	20	BDID	
COC(=O)c1cn(CCc2ccccc2)nn1	218182454	LJMGLCKQYRPCCZ-UHFFFAOYSA-N	231.255	1.307	70	20	BDID	
CSC[C@@H](CCO)N[C@@H](C)c1cncs1	160232632	KHMPKBFZXKZUGK-DTWKUNHWSA-N	246.401	1.908	70	20	BDID	
C[C@]1(O)CCCN(c2ncc(Cl)cn2)C1	160839744	SRHCVJWQZIPKME-JTQLQIEISA-N	227.695	1.481	70	20	BDID	
Cc1cc(C(=O)NCCc2cccs2)ncn1	161255752	ZDVUPYHOKCXCCD-UHFFFAOYSA-N	247.323	1.819	70	20	BDID	
Cc1cc(N[C@H](CO)CC(C)(C)C)ncn1	161441413	DGFNOKBMFKDQLT-JTQLQIEISA-N	223.320	1.994	70	20	BDID	
COC[C@@H]1CCN(C(=O)N2CCCCCC2)C1	160616967	ZHYBGBHYGDLMFS-GFCCVEGCSA-N	240.347	1.951	70	20	BDID	
O=C(/C=C\c1ccco1)NC[C@@H]1CCCNC1	217463794	PDSUCIHTGRHBIW-ISALQUGTSA-N	234.299	1.409	70	20	BDID	
Cc1ccc2sc(NC(=O)CO)nc2c1C	217357747	MRCYJNVKKSZGAN-UHFFFAOYSA-N	236.296	1.844	70	20	BDID	
c1cn(CCN2CCN(C3CCCC3)CC2)cn1	161373278	SLELBXJYCOFNDF-UHFFFAOYSA-N	248.374	1.443	70	20	BDID	
COC[C@@H]1CCN(C(=O)N2CCC(C)CC2)C1	160617345	MIZNOEYLDSVBNJ-GFCCVEGCSA-N	240.347	1.807	70	20	BDID	
C[C@@H](NCCCS(C)(=O)=O)c1cscn1	161185324	TUTRFZJIFDLUJG-MRVPVSSYSA-N	248.373	1.228	70	20	BDID	
CCNC(=O)c1ccc(S(=O)(=O)F)cc1C	1337976186	NVXCDDOFQFCSQQ-UHFFFAOYSA-N	245.275	1.403	70	20	BDID	
CC[C@@H](C)N(C)CCNC1CCNCC1	217889375	IXWSUMUJXQJFQL-LLVKDONJSA-N	213.369	1.058	70	20	BDID	
Cc1ccnc(S(=O)(=O)Cl)c1C#N	104547642	SYPIZTIERXOMHG-UHFFFAOYSA-N	216.649	1.189	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)CCC(C)C	160239871	BQLDHZAAVUSPLK-SNVBAGLBSA-N	229.320	1.881	70	20	BDID	
Cc1ccc(C(=O)NC[C@@H](C)CO)c(O)c1C	159593306	IWZUCXUVEWJFDE-MRVPVSSYSA-N	237.299	1.367	70	20	BDID	
CC[C@H](N[C@@H]1CCc2nc(C)nn2C1)C(C)C	160482269	BNBUMHJJWKOIDX-NEPJUHHUSA-N	236.363	1.926	70	20	BDID	
Cc1cc(C)c(CN2CCNC(=O)C2)cc1C	160482940	AOFZUDNRIMZHDS-UHFFFAOYSA-N	232.327	1.544	70	20	BDID	
CCc1ncnc(NCCOCCOC)c1F	217969522	ZZBPBFZEEORKNG-UHFFFAOYSA-N	243.282	1.253	70	20	BDID	
FC(F)CSCCN1CCOCC1	159806343	HYLLBOBRNVTHNG-UHFFFAOYSA-N	211.277	1.317	70	20	BDID	
N[C@H]1CCC[C@@H](NC(=O)C2CCCCC2)C1	160986994	LSEXTZHOVWATLS-NWDGAFQWSA-N	224.348	1.953	70	20	BDID	
Cc1c(F)cc(S(=O)(=O)F)cc1[N+](=O)[O-]	238850657	CJBSKCOOOIRFGN-UHFFFAOYSA-N	237.183	1.701	70	20	BDID	
COCCCCC(=O)N[C@@H]1CCC[C@H](N)C1	161042352	KEBKXDIVNUZKST-WDEREUQCSA-N	228.336	1.189	70	20	BDID	
OCC1(Cn2nc(C3CC3)nc2C2CC2)COC1	161418609	FYHDSWKYLSSBNY-UHFFFAOYSA-N	249.314	1.042	70	20	BDID	
CC[C@@H](COC)NS(=O)(=O)C[C@H](C)CC	160324230	HXMUKFHLVMYFIC-ZJUUUORDSA-N	237.365	1.377	70	20	BDID	
COc1cccnc1NC[C@@]1(OC)CCOC1	160644358	FHZBAZLUPJQEFW-LBPRGKRZSA-N	238.287	1.308	70	20	BDID	
CCCOC(=O)[C@@H](C)N(C)Cc1cscn1	159644466	VATLCTCEJLXFDZ-SECBINFHSA-N	242.344	1.917	70	20	BDID	
CC[C@@H](C)C(=O)N(CC(N)=O)CC(C)C	159735066	QUCIVLSCMSFFIK-SECBINFHSA-N	214.309	1.002	70	20	BDID	
Cc1cnccc1CS(=O)(=O)Cl	307261642	QBBLHHOMRXXAGM-UHFFFAOYSA-N	205.666	1.459	70	20	BDID	
C[C@H](NC[C@@H](C)N(C)C)c1cscn1	161188318	NVRIQBDPOADROI-BDAKNGLRSA-N	213.350	1.744	70	20	BDID	
CC[C@H](CCO)Nc1ncccc1OC	217995257	WQQZZRVLWWOGKY-SECBINFHSA-N	210.277	1.663	70	20	BDID	
O=S(=O)(F)C[C@H]1CC[C@H]2C[C@H]1CO2	1887473488	WVSHNCLJZHGPJW-CSMHCCOUSA-N	208.254	1.101	70	20	BDID	
CCOCC(=O)NCCCSCC(C)C	160713136	QPUWFNRQOKDONR-UHFFFAOYSA-N	233.377	1.918	70	20	BDID	
CCCSCC(=O)N1CCC[C@@H]1CNC	161242871	LAHSNSDADNYMKR-SNVBAGLBSA-N	230.377	1.340	70	20	BDID	
CCc1noc(S(=O)(=O)Cl)c1Cl	521401216	ZRHMKJKGZVVVCZ-UHFFFAOYSA-N	230.072	1.818	70	20	BDID	
CC1(C)C[C@@H](Nc2cnccn2)CCO1	160563668	IUWCVSCMUZIEBB-VIFPVBQESA-N	207.277	1.846	70	20	BDID	
C[C@@](F)(CS(=O)(=O)Cl)C1CC1	1537959157	ZLTVKWSBFZESOB-ZCFIWIBFSA-N	200.662	1.693	70	20	BDID	
COC(=O)CCCC(=O)Nc1cccc(F)n1	160617825	DCRCCRWEBHWRPO-UHFFFAOYSA-N	240.234	1.503	70	20	BDID	
CCC[C@H](O)CN[C@@H](C)c1ccccn1	160891145	NKJSNTIOWLLPRW-QWRGUYRKSA-N	208.305	1.893	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1csnn1	159618525	CIIBPBWQNQICHJ-SFYZADRCSA-N	225.317	1.847	70	20	BDID	
CC(C)CC[C@@H](C)NC(=O)N[C@H]1CCOC1	159455111	YMQQIKHOCLCFOP-MNOVXSKESA-N	228.336	1.899	70	20	BDID	
Cc1nn(C)cc1CN[C@H]1CCCSC1	160162840	VQULZOOEYHFNHP-NSHDSACASA-N	225.361	1.714	70	20	BDID	
COc1ncncc1NC(=O)NOCC(C)C	161035317	WRSIWDLSEYINAH-UHFFFAOYSA-N	240.263	1.194	70	20	BDID	
CC[C@H](CC(=O)NCC[C@H](O)COC)C(C)C	161100002	VWMLYIKAQGYYTM-NEPJUHHUSA-N	245.363	1.572	70	20	BDID	
COC(=O)NCCC(=O)N1[C@@H](C)CC[C@@H]1C	161497397	PBTPZKZBPLJQPJ-IUCAKERBSA-N	228.292	1.132	70	20	BDID	
Cc1nnc(CSc2nccn2C)n1C	160985522	AKFIYOOYSYBRLK-UHFFFAOYSA-N	223.305	1.149	70	20	BDID	
Cc1cc(NC(=O)C2(C)CCC2)c[nH]c1=O	159577345	PEEZHKFBBUQJPO-UHFFFAOYSA-N	220.272	1.812	70	20	BDID	
CC[C@@](C)(O)CNCc1ccncc1C	160611058	ADCWPDJLGLGUNF-GFCCVEGCSA-N	208.305	1.641	70	20	BDID	
CCC(C)(CC)C(=O)N(C)C[C@@H](C)O	159437433	KQAYYXATGFJCAV-SECBINFHSA-N	201.310	1.652	70	20	BDID	
CC[C@@H](O)CCNC(=O)c1cncs1	218087248	QFVUOJLPASFIBD-SSDOTTSWSA-N	214.290	1.034	70	20	BDID	
Cn1c(N)nnc1S[C@@H]1C=CCCC1	161157342	SCLKWCSPCVHAMP-SSDOTTSWSA-N	210.306	1.598	70	20	BDID	
COCC(=O)Nc1cc(C2CC2)nc(C)n1	160037544	ZPYPJAXSZXEPCJ-UHFFFAOYSA-N	221.260	1.247	70	20	BDID	
CC[C@@]1(C)C[C@@H]1C(=O)NCC(=O)N1CCCC1	160569520	UDVUJCIQSNAZDC-MFKMUULPSA-N	238.331	1.161	70	20	BDID	
CCCCOCC(=O)N[C@@H](C)CC(=O)OCC	160628922	CUGJDGUBJUYBBJ-JTQLQIEISA-N	245.319	1.261	70	20	BDID	
CS[C@H](C)CC(=O)Nc1nnc(C)s1	160677128	HSYHVILACCMWPP-RXMQYKEDSA-N	231.346	1.927	70	20	BDID	
CCN(C(=O)N[C@@H]1CCOC1)C1CCCC1	159559582	LLJCFFHKRBCFDM-SNVBAGLBSA-N	226.320	1.749	70	20	BDID	
Cc1ccc(OCC(=O)NCC(C)(C)N)cc1	159950769	YMPRPZCYIHEHJX-UHFFFAOYSA-N	236.315	1.227	70	20	BDID	
Cc1ccccc1OCCS(=O)(=O)Cl	103977012	RFWIETRWWZJBKJ-UHFFFAOYSA-N	234.704	1.942	70	20	BDID	
Cc1cc(C(=O)Nc2ccc(F)nc2)c(C)nn1	218158197	XHLPYSLMRAZRID-UHFFFAOYSA-N	246.245	1.880	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)CCOCCOC	159560682	UXDGYRZKSJKNPG-NWDGAFQWSA-N	243.347	1.734	70	20	BDID	
CC[C@@H](C)N1CCN(C(=O)NC2CCC2)CC1	160519122	DMPWGUIRUZBPFL-LLVKDONJSA-N	239.363	1.665	70	20	BDID	
CCCN1CCCN(C(=O)[C@H](C)CC)CC1	160354593	ZMWSXDUEGQZRIE-GFCCVEGCSA-N	226.364	1.977	70	20	BDID	
CC[C@@H](C)c1cc(C(=O)N(C)[C@H](C)CO)on1	160453531	PYNMQTNQBLKQIP-RKDXNWHRSA-N	240.303	1.641	70	20	BDID	
CC[C@H](Nc1ccn(CCC(C)C)n1)C(N)=O	159925465	KDWQOCQVNACKJO-JTQLQIEISA-N	238.335	1.605	70	20	BDID	
O=C(CCl)NC[C@H](O)c1cccc(F)c1	116151353	YIFMKMQDWDIPAK-VIFPVBQESA-N	231.654	1.214	70	20	BDID	
CC/C=C(\C)C(=O)NCC1(O)CCCC1	216999354	OUQYJOMHVRCFDA-UXBLZVDNSA-N	211.305	1.764	70	20	BDID	
C[C@H](CC1CCOCC1)NCC(C)(C)O	160657844	RFBZIHVCGNHJMJ-SNVBAGLBSA-N	215.337	1.552	70	20	BDID	
CNC(=O)c1cccc(NC(=O)C(F)F)c1	217643796	PGVBABIYJPGUQG-UHFFFAOYSA-N	228.198	1.250	70	20	BDID	
Cc1ccccc1C1(C(=O)NCCO)CC1	159370226	WBOZEHUTXCFRNG-UHFFFAOYSA-N	219.284	1.135	70	20	BDID	
CCN(CC(=O)Nc1c[nH]c(=O)c(C)c1)C1CC1	159491430	MPLKOUWBJMRWDM-UHFFFAOYSA-N	249.314	1.106	70	20	BDID	
Cc1ccc(C(=O)NC2(CO)CCC2)s1	161103731	PHMMEDHNAKABCV-UHFFFAOYSA-N	225.313	1.701	70	20	BDID	
COC[C@H](C)N(C)C(=O)c1ccncc1F	161390543	HWWLJUUDUFCHTL-QMMMGPOBSA-N	226.251	1.328	70	20	BDID	
COc1ccccc1C[C@@H](C)NC[C@@H](C)N	218300683	UDXOIFGYNFHNMC-GHMZBOCLSA-N	222.332	1.563	70	20	BDID	
CC(C)(C)CN(CCCO)S(=O)(=O)C1CC1	161342301	YRMJAYUFXMXYQO-UHFFFAOYSA-N	249.376	1.209	70	20	BDID	
CC[C@@H](O)CCNC(=O)NCCC(C)C	160646400	CDILBHLVSLZEFD-SNVBAGLBSA-N	216.325	1.493	70	20	BDID	
CC[C@@H](C)C(=O)NOCc1cccnc1	160776392	XKZVZDXKCWYTIT-SECBINFHSA-N	208.261	1.676	70	20	BDID	
CCS[C@H]1CCCCN(C(=O)[C@H](C)N)C1	159764083	ZYDIHBBCLBMWKD-UWVGGRQHSA-N	230.377	1.468	70	20	BDID	
CCCCNC(=S)N[C@H]1CCOC1	159582913	VINIZSGSWKLSNN-QMMMGPOBSA-N	202.323	1.040	70	20	BDID	
CCn1ccnc1CN1C[C@H](C)OC[C@@H]1C	160767519	GZULAFXKKGNMKF-QWRGUYRKSA-N	223.320	1.512	70	20	BDID	
C[C@@H](CO)SCc1noc(C(C)(C)C)n1	160722899	PMVAEAZFNGUGAS-ZETCQYMHSA-N	230.333	1.981	70	20	BDID	
c1cnn(CCn2cnc3c2CCCC3)c1	160721264	JBCXJOJMLIGASS-UHFFFAOYSA-N	216.288	1.659	70	20	BDID	
C[C@H](C(=O)N[C@@H]1CCC[C@H](N)C1)C1CC1	160838628	TVWAVKJEDUTRQG-INTQDDNPSA-N	210.321	1.419	70	20	BDID	
Cc1cc(N2CCC[C@](C)(O)C2)ncn1	160849002	WMZOKBUHCGPJKZ-NSHDSACASA-N	207.277	1.136	70	20	BDID	
C[C@@H](c1ccncc1)S(=O)(=O)Cl	143597894	XNAKKFXDWCROPF-LURJTMIESA-N	205.666	1.711	70	20	BDID	
Cc1cccc(N2CCC(n3ccnn3)CC2)n1	160204280	BSUSBJLJPPXDDS-UHFFFAOYSA-N	243.314	1.823	70	20	BDID	
CC[C@@H](C(=O)N[C@@H](C)CC(C)(C)OC)N(C)C	160893763	QMDRCNKDOAJJAZ-QWRGUYRKSA-N	244.379	1.646	70	20	BDID	
Cc1noc(C)c1CCS(=O)(=O)CC(C)C	159604531	ZBOUZHXGWSAXBF-UHFFFAOYSA-N	245.344	1.905	70	20	BDID	
CN(Cc1ccsc1)C(=O)N[C@@H]1CCOC1	159444134	WTHGAZNYBUCXGA-SNVBAGLBSA-N	240.328	1.678	70	20	BDID	
CC(C)CONC(=O)Nc1ccn(C)n1	159768866	QEYQTUCSGHUTQP-UHFFFAOYSA-N	212.253	1.129	70	20	BDID	
C[C@@H](NC(=O)[C@]1(C)CCCCN1)C1CC1	159558476	PPBHOKKCAQRIBE-SKDRFNHKSA-N	210.321	1.433	70	20	BDID	
O=C(CCCCO)N1C[C@H]2CCC[C@H]2C1	160516030	GGOBQCSUYLZJRE-PHIMTYICSA-N	211.305	1.408	70	20	BDID	
Cc1occc1C(=O)NC(C)(C)CCO	160772263	UXRXZCJPQXOKBV-UHFFFAOYSA-N	211.261	1.479	70	20	BDID	
COCC(C)(C)NC(=O)c1ccncc1F	161403324	UFVAMRLJAUUUGK-UHFFFAOYSA-N	226.251	1.376	70	20	BDID	
Cc1cc2c(cc1C)O[C@@H](C(=O)NCCCN)C2	160176646	ZZAGEWXHVDHRML-CYBMUJFWSA-N	248.326	1.072	70	20	BDID	
CO[C@@H](C)C(=O)N(C)[C@@H](C)C(C)(C)C	160520408	BOZYQCNHQOHECB-IUCAKERBSA-N	201.310	1.914	70	20	BDID	
COCCC(=O)N(C)Cc1cccn1C	160558285	KYSVLSCIISJPSC-UHFFFAOYSA-N	210.277	1.020	70	20	BDID	
CN([C@@H]1CCSC1)S(=O)(=O)CCCF	159373420	QFFFPRZGDCPCPV-MRVPVSSYSA-N	241.353	1.113	70	20	BDID	
CC(C)(C)CNC(=O)[C@]1(C)CCCCN1	159563913	RKVOHQPALMFKPH-LBPRGKRZSA-N	212.337	1.681	70	20	BDID	
Cc1nc2cc(OS(=O)(=O)F)ccc2n1C	1887503782	WWCFUVSTGHTTNT-UHFFFAOYSA-N	244.247	1.475	70	20	BDID	
Cc1nc2ccc(OS(=O)(=O)F)cc2[nH]1	1887503905	VKPDOGNCPOSIJH-UHFFFAOYSA-N	230.220	1.464	70	20	BDID	
C[C@@H]1CCCCN1C(=O)N[C@@H]1CCOC1	159452133	IFSIFAPSCDQWFY-NXEZZACHSA-N	212.293	1.359	70	20	BDID	
CC[C@@H](O)CNCc1cc(O)cc(F)c1	159622510	PJCSETOBRXERNA-SNVBAGLBSA-N	213.252	1.392	70	20	BDID	
Cc1ccc(CN(C)Cc2nncn2C)o1	160688971	YARQQSMVGKEKDP-UHFFFAOYSA-N	220.276	1.349	70	20	BDID	
CCC[C@@H](O)CNCc1ccncc1Cl	217902813	DDUURALHEATISC-SNVBAGLBSA-N	228.723	1.986	70	20	BDID	
Cn1nccc1CSc1nnnn1C1CC1	161311131	FORRVXSDGAGCSB-UHFFFAOYSA-N	236.304	1.034	70	20	BDID	
Cc1cc(C(=O)N2C[C@@H](C)OC[C@@H]2C)ncn1	161488327	CKOWUMDRPFPXLX-VHSXEESVSA-N	235.287	1.034	70	20	BDID	
C[C@H](Nc1ccc(C(N)=O)cn1)C1CCC1	160065058	DYSQKFMZNAEYRA-QMMMGPOBSA-N	219.288	1.781	70	20	BDID	
CCNC(=O)Nc1ccc(-c2ncn(C)n2)cc1	160590947	SDTQGNAWIQRQTB-UHFFFAOYSA-N	245.286	1.624	70	20	BDID	
CC(C)CCO[C@H](C)C(=O)NC[C@@H](C)CCO	160991027	GGZQEMMRDJQCKF-NWDGAFQWSA-N	245.363	1.572	70	20	BDID	
CCCCOCCSCCN1CCOCC1	159891014	WCWUZTJHTFSACB-UHFFFAOYSA-N	247.404	1.869	70	20	BDID	
C[C@@H](O)C[C@H]1CCCN1Cc1cscn1	159373094	LSPKEDCGFLVZCU-MWLCHTKSSA-N	226.345	1.878	70	20	BDID	
C[C@@H](CNC(=O)[C@@H]1CC1(C)C)CN1CCCC1	159375518	FMDMXVRYNUVKHY-RYUDHWBXSA-N	238.375	1.881	70	20	BDID	
CC[C@@H]1CCCN(C(=O)[C@@]2(F)CCNC2)CC1	159569102	MWJVSAOLBFKTNM-DGCLKSJQSA-N	242.338	1.727	70	20	BDID	
Cc1cc(F)cc(S(=O)(=O)Cl)c1O	238850998	DPOCMSYFKSUQIN-UHFFFAOYSA-N	224.640	1.767	70	20	BDID	
CCSCCN1CC[C@@H](N2CCCC2)C1	160336010	IDBUHIDLIZUEDF-GFCCVEGCSA-N	228.405	1.910	70	20	BDID	
Cc1ccoc1C(=O)N[C@@H]1CCC[C@H](N)C1	160899712	AISMEXUCRUTROV-VHSXEESVSA-N	222.288	1.588	70	20	BDID	
O=C(CCOc1ccccc1)N[C@@H]1CCC[C@H]1O	161086675	HKYXDIGUSHNNRZ-CHWSQXEVSA-N	249.310	1.485	70	20	BDID	
CC[C@H](N)C(=O)Nc1ncc(C(C)=O)s1	161086897	QUJHDTLAVWLOKX-LURJTMIESA-N	227.289	1.022	70	20	BDID	
O=C(CC1CCCC1)N1CCc2ncncc2C1	218049803	XBGUUBFDOFTXRP-UHFFFAOYSA-N	245.326	1.942	70	20	BDID	
Cc1cc(C)nc(N[C@]2(C)CCOC2)n1	160439041	XAKZEAOAQPOYHT-LLVKDONJSA-N	207.277	1.684	70	20	BDID	
CC[C@H](NCCOC)c1ccc(F)cn1	161303620	DMGMSGDBQLZFOA-JTQLQIEISA-N	212.268	1.908	70	20	BDID	
CC(C)(C)OC(=O)NC1(C(=O)NCCF)CC1	218393135	WPXHPUJCJRDXRQ-UHFFFAOYSA-N	246.282	1.129	70	20	BDID	
CCCN(CCO)Cc1cnc2c(C)cccn12	161219513	HDECNLHQGMIUCH-UHFFFAOYSA-N	247.342	1.847	70	20	BDID	
CCN(CC)[C@H](C)CNC(=O)[C@@H]1CCCCO1	161426770	RMXIJONNITXJHI-NEPJUHHUSA-N	242.363	1.402	70	20	BDID	
C[C@@]1(Nc2ncnc3c2CCCC3)CCOC1	160008375	DLBGKWBBBSUTKV-CYBMUJFWSA-N	233.315	1.946	70	20	BDID	
C[C@H](NC(=O)[C@@H](C)N)[C@@H](C)c1ccccc1	160890875	VMCVLWFZNCLSNO-MXWKQRLJSA-N	220.316	1.642	70	20	BDID	
COC[C@H](N[C@H]1CCC[C@@H](N(C)C)C1)C1CC1	161141886	RCPNUVYNUGJKRI-MJBXVCDLSA-N	240.391	1.874	70	20	BDID	
C[C@H]1C[C@H](C)CC[C@H]1Nc1ccc(C(N)=O)nn1	218054238	HSGNZXHYSUFHAM-KXUCPTDWSA-N	248.330	1.812	70	20	BDID	
Cc1cccc(C(=O)N2CCOC[C@@H]2C)c1F	161448836	UGKHPTCNFZEMHX-JTQLQIEISA-N	237.274	1.995	70	20	BDID	
COc1cccnc1NCCN(C)C(C)C	160231466	TZBBMTNQUZPUOL-UHFFFAOYSA-N	223.320	1.842	70	20	BDID	
CCCC1(CNC(=O)Cn2cccn2)CC1	160442078	WROHLSKCEOYDCE-UHFFFAOYSA-N	221.304	1.580	70	20	BDID	
CS(=O)(=O)CCCSc1ccncc1	159917263	PFTKZEBUERACDJ-UHFFFAOYSA-N	231.342	1.608	70	20	BDID	
CCCC[C@H](CC)CC(=O)NC[C@@H](O)COC	159520373	NDPJWANMYXRSEG-NWDGAFQWSA-N	245.363	1.716	70	20	BDID	
C[C@H](COC1CCC1)CS(=O)(=O)Cl	112159774	HSOOPPMADFOFPX-SSDOTTSWSA-N	226.725	1.760	70	20	BDID	
CC1CCN(C(=O)N2CCCN(C)CC2)CC1	160339275	YLMYDGOZPFRRND-UHFFFAOYSA-N	239.363	1.476	70	20	BDID	
COC[C@@H]1CCN(C(=O)N2CCC[C@@H](C)C2)C1	160616718	XYHLHSAVEPCCMB-VXGBXAGGSA-N	240.347	1.807	70	20	BDID	
CC[C@H](CO)N[C@H](C)c1cscn1	161133177	KUUNLJTYUBITKI-HTQZYQBOSA-N	200.307	1.565	70	20	BDID	
CC[C@H](N)C(=O)N1CC[C@H](CC(C)C)C1	159611391	GEMWEXNJILLBLG-MNOVXSKESA-N	212.337	1.618	70	20	BDID	
CC(C)C[C@@H](O)CNCc1nccs1	218167706	WKRZBAVCXGUSNX-SECBINFHSA-N	214.334	1.640	70	20	BDID	
CCCC[C@H](CC)CC(=O)N1CC(O)C1	161453496	DGHRZPKMORRVRD-JTQLQIEISA-N	213.321	1.796	70	20	BDID	
CCNC(=O)N1CCO[C@](C)(c2ccccc2)C1	160190928	GAIQLYWCSAMIFL-AWEZNQCLSA-N	248.326	1.964	70	20	BDID	
CN(C)C(=O)CCc1nc(-c2ccoc2)no1	159405852	NUIYJOIFGAMIKH-UHFFFAOYSA-N	235.243	1.350	70	20	BDID	
CCOCCCN1CC[C@@H]([C@@H](C)N)C1	159504711	YOEJPNQXGVUCCV-GHMZBOCLSA-N	200.326	1.082	70	20	BDID	
NCCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1	159714621	YEYIELMPPYBSAW-QWHCGFSZSA-N	232.327	1.788	70	20	BDID	
O=S(=O)(F)C[C@@]1(c2ccccc2)CCCO1	1887504676	MGMOLVLDNRIXCX-LLVKDONJSA-N	244.287	1.992	70	20	BDID	
CNCCNCc1cc2ccccc2o1	161258926	ZCMZXOQQTUXNNP-UHFFFAOYSA-N	204.273	1.742	70	20	BDID	
CC(C)C[C@@H]1CCCN(C(=O)CN(C)C)C1	161076423	CTTGUBQORVZRJM-LBPRGKRZSA-N	226.364	1.833	70	20	BDID	
Cc1cc(C(=O)NCCc2cccc(O)c2)[nH]n1	160242549	LOFVTLJPUNSXOQ-UHFFFAOYSA-N	245.282	1.396	70	20	BDID	
CCN1CCCC[C@H]1CN[C@@H](C)COC	161211614	WYEOCKHXJNAFIQ-RYUDHWBXSA-N	214.353	1.485	70	20	BDID	
CCCS(=O)(=O)CCSC[C@@H](C)CO	217974218	ALPUPZQEKDEESR-VIFPVBQESA-N	240.390	1.173	70	20	BDID	
COC(=O)[C@@H](C)SCc1ccnn1C	161330440	BRFHUCMKLAFVMT-SSDOTTSWSA-N	214.290	1.215	70	20	BDID	
C[C@H](CC(=O)Nc1ccnn1C)c1ccncc1	160303764	NRVPVQGIENWAHQ-SNVBAGLBSA-N	244.298	1.947	70	20	BDID	
CCO[C@@H](C)C(=O)NCC(N)(CC)CC	160534724	JDDQXIQWZAULLG-VIFPVBQESA-N	216.325	1.045	70	20	BDID	
CNCC(=O)Nc1cc(CC(C)(C)C)[nH]n1	159436835	NDJICFLJECWTDU-UHFFFAOYSA-N	224.308	1.156	70	20	BDID	
CCN1CCC[C@@H]1CNC(=O)c1[nH]c(C)cc1C	159575590	WZNDIWYZIZSWDC-GFCCVEGCSA-N	249.358	1.846	70	20	BDID	
CC(C)c1nc(C(=O)NC2(CO)CC2)cs1	160328145	RDEHWVHTZSONQV-UHFFFAOYSA-N	240.328	1.521	70	20	BDID	
CN(CC[C@H]1CCCN1C)Cc1cnn(C)c1	161304921	QGMYTPQBXXEEON-CYBMUJFWSA-N	236.363	1.336	70	20	BDID	
CNCCNCc1ccc2c(c1)CCC2	161258820	AZRLZOQRGZUYNN-UHFFFAOYSA-N	204.317	1.484	70	20	BDID	
COc1cccc2c1CC[C@@H]2NC(N)=O	160275318	RPKLXJMDXLTOTQ-VIFPVBQESA-N	206.245	1.351	70	20	BDID	
CCCCN(C)C(=O)C(=O)Nc1nocc1C	160285976	APKILTJPBRXZNR-UHFFFAOYSA-N	239.275	1.180	70	20	BDID	
CCc1ccc(CC(=O)N2CC[C@@H](NC)C2)cc1	160681850	KWHFSBKDSSCRMA-CQSZACIVSA-N	246.354	1.612	70	20	BDID	
CC(C)Nc1ccc(C(=O)N2CC[C@@H](O)C2)cn1	159517954	ROKBCMVKLPDRMQ-LLVKDONJSA-N	249.314	1.109	70	20	BDID	
C[C@@H](O)CC(C)(C)CNC(=O)CC1(N)CCC1	160951426	LTKAGAYFUYWSRG-SNVBAGLBSA-N	242.363	1.171	70	20	BDID	
CS[C@H]1CCC[C@@H](NC(=O)C2(N)CC2)C1	159569799	YBAZGGVUZNOGCJ-BDAKNGLRSA-N	228.361	1.268	70	20	BDID	
CC(C)C1(CNC(=O)[C@H]2CCNC2)CC1	160821647	BQDJXCYGWSMUAZ-JTQLQIEISA-N	210.321	1.148	70	20	BDID	
C[C@H](CC(N)=O)N[C@H]1CCCC(C)(C)C1	160803695	LTDJFKWZBLDNAB-ZJUUUORDSA-N	212.337	1.809	70	20	BDID	
CC(C)[C@@H](C)C(=O)N1CCC[C@@](C)(O)C1	161026763	KCUQENFNFAOQAR-ZYHUDNBSSA-N	213.321	1.652	70	20	BDID	
CC[C@@H](O)CCNC(=O)C(F)(F)C(F)F	218091910	SMVCSEFGSSMXLJ-RXMQYKEDSA-N	231.189	1.164	70	20	BDID	
Cc1ncncc1C(=O)N1CCOC[C@@H]1C1CC1	161291726	WHYPLGUBWLKUAD-GFCCVEGCSA-N	247.298	1.036	70	20	BDID	
CC(C)N(C)C(=O)[C@H]1CCC(=O)C[C@H]1C	159520231	BVOBYAZKVBIYAE-KOLCDFICSA-N	211.305	1.859	70	20	BDID	
CCS[C@@H]1CCCCN(C(=O)[C@@H](N)CC)C1	159765761	BEKOXOBGQIBLEJ-MNOVXSKESA-N	244.404	1.858	70	20	BDID	
O=S(=O)(F)c1cccc2ccncc12	675064460	JMMQXGLNXQXSCC-UHFFFAOYSA-N	211.217	1.893	70	20	BDID	
COCCCCNCc1ccncc1C	160610330	JLFJFQCTDAVMGL-UHFFFAOYSA-N	208.305	1.906	70	20	BDID	
C[C@@H](NCCN1CCCC1)c1cscn1	161141775	HBZNDMVUMZGIAA-SNVBAGLBSA-N	225.361	1.890	70	20	BDID	
c1n[nH]nc1CNCC1C2CC3CC(C2)CC1C3	216850194	OGGMTHHITSNVKI-UHFFFAOYSA-N	246.358	1.967	70	20	BDID	
COCCC1(CNC(=O)N(C)C(C)C)CC1	161021070	VGGFZYGGFWAWRQ-UHFFFAOYSA-N	228.336	1.853	70	20	BDID	
CCC(=O)N(C)CC(C)(C)CN1CCOCC1	160206968	BJLLRBAAOVAGKO-UHFFFAOYSA-N	242.363	1.213	70	20	BDID	
CC[C@H](N)C(=O)Nc1ccc2c(c1)NC(=O)CC2	160416623	VLCVXYVGUILGNK-JTQLQIEISA-N	247.298	1.247	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)CC1CC1	160822884	VVRMLKRPTMVYPZ-QMMMGPOBSA-N	213.277	1.244	70	20	BDID	
C[C@@]1(C(=O)Nc2nncs2)CCCCN1	159546771	VRQYVEOPYIPLFL-VIFPVBQESA-N	226.305	1.009	70	20	BDID	
CCc1nc(CN(C)C[C@H]2CCC[C@@H]2O)no1	159835458	BUCYMKZZMAPWLG-ZJUUUORDSA-N	239.319	1.225	70	20	BDID	
C[C@]1(CNC(=O)NCC2CC2)CCCS1	159815506	BPXQOYBVANTJIB-LLVKDONJSA-N	228.361	1.981	70	20	BDID	
CC[C@H](CCO)NC(=O)[C@H](C)C(C)C	160117519	PTFMGBBKJKRMPZ-NXEZZACHSA-N	201.310	1.556	70	20	BDID	
CC[C@H](CCO)NC(=O)[C@H]1CCSC1	160133572	QNFONDCGTCLLNF-DTWKUNHWSA-N	217.334	1.017	70	20	BDID	
CC[C@@H]1COCCN1C(=O)N1CCC(C)CC1	160368055	ZWBXUANQSKTJOW-GFCCVEGCSA-N	240.347	1.949	70	20	BDID	
CCCC1(CNC(=O)c2ccn(C)c(=O)c2)CC1	160643010	AFNGKEFPYRPZRJ-UHFFFAOYSA-N	248.326	1.695	70	20	BDID	
CCC[C@H](C(=O)NCCNC(C)=O)C(C)C	161246793	BNZUXVMHDSQDGQ-NSHDSACASA-N	228.336	1.311	70	20	BDID	
CONC(=O)NC[C@H](C)c1nc(C)cs1	159636254	LEMDTQHSEKDSBF-LURJTMIESA-N	229.305	1.416	70	20	BDID	
Cc1ccc(C(=O)Nc2c[nH]c(=O)c(C)c2)cn1	159734566	XIXKZNPSYKYEID-UHFFFAOYSA-N	243.266	1.639	70	20	BDID	
Cn1ccc(C(=O)Nc2cccc(F)n2)cc1=O	160784006	NYNDDIHYCRCVBH-UHFFFAOYSA-N	247.229	1.172	70	20	BDID	
C[C@@]1(O)CCCN(CC2CCOCC2)C1	160986273	CFXCKAXAPWGVEQ-GFCCVEGCSA-N	213.321	1.260	70	20	BDID	
CC(=O)Nc1ccc(S(=O)(=O)F)c(F)c1	675051740	AWEXGIDOOXJCOS-UHFFFAOYSA-N	235.211	1.442	70	20	BDID	
CCCN(C(=O)OC(C)(C)C)[C@@H](C)C(N)=O	217361650	SWXYLHOIGWDMNL-QMMMGPOBSA-N	230.308	1.507	70	20	BDID	
COC(=O)c1nccc(NCC(C)(C)OC)n1	160624414	SEBGWAYVFXGCBY-UHFFFAOYSA-N	239.275	1.100	70	20	BDID	
Cc1ncncc1C(=O)N(C)Cc1cccn1C	160875665	LTDZKVVKFRMQCK-UHFFFAOYSA-N	244.298	1.396	70	20	BDID	
Cn1cncc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	159673575	UQLCEYRQKBGZJR-UPJWGTAASA-N	247.342	1.467	70	20	BDID	
Cc1nnc2c(N[C@@H]3CCSC3)nccn12	218059497	OXTUNJMEOBMRRA-MRVPVSSYSA-N	235.316	1.350	70	20	BDID	
CCO[C@@H]1CCCN(CCn2ccnc2)C1	159841200	VOZCRQISVAZMCB-GFCCVEGCSA-N	223.320	1.384	70	20	BDID	
CC[C@@H](C)N(C)CCNCC1(C)COC1	217752955	IGRCOBUFKLVISF-LLVKDONJSA-N	214.353	1.343	70	20	BDID	
O=C(c1c[nH]nn1)N1CC=C(C(F)(F)F)CC1	160578500	STQAOOSKFJPPMK-UHFFFAOYSA-N	246.192	1.139	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)SC	160799243	CDLWMMQQFRSFOH-JGVFFNPUSA-N	233.333	1.196	70	20	BDID	
CC1CCC(CNC(=O)N[C@H]2CCOC2)CC1	159388931	HXVWFMDRPHFISR-MCIGGMRASA-N	240.347	1.901	70	20	BDID	
CS[C@H](C)CNC(=O)c1cncc(O)c1	159532303	IHMLELFSCILZSS-SSDOTTSWSA-N	226.301	1.269	70	20	BDID	
CCN(CC)C(=O)NCC1(CCOC)CC1	161013377	GUKCEVRSPJMGAU-UHFFFAOYSA-N	228.336	1.855	70	20	BDID	
CC[C@H](N)C(=O)N1CCCC[C@H]1C(C)C	160425702	BGFLNXWUOLEMBP-QWRGUYRKSA-N	212.337	1.761	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)C1(O)CCCCC1	161112722	IFFNYBNKZCAHJN-NSHDSACASA-N	243.347	1.205	70	20	BDID	
CNCCNCc1coc2ccccc12	161250145	KEBIJGRQPGEYFC-UHFFFAOYSA-N	204.273	1.742	70	20	BDID	
C[C@@H](N)C(=O)NCc1ccccc1OCC1CC1	160099718	AMDNACHOVPOHAH-SNVBAGLBSA-N	248.326	1.439	70	20	BDID	
COCCCCC(=O)N[C@H](CCO)C(C)C	160629047	ALJZDZYSIPYGQQ-LLVKDONJSA-N	231.336	1.326	70	20	BDID	
CN(C(=O)N[C@H]1CCN(CC2CC2)C1)C1CC1	160730184	UQPBUXGDSKBESK-NSHDSACASA-N	237.347	1.275	70	20	BDID	
C[C@H]1C[C@@H](c2ccccc2)CN1C(=O)[C@@H](C)N	160904132	ZRXMOHLCBMEDHS-DMDPSCGWSA-N	232.327	1.738	70	20	BDID	
NC(=O)NCCOc1ncccc1C(F)(F)F	160927379	PFFFWSGXBPVMDJ-UHFFFAOYSA-N	249.192	1.148	70	20	BDID	
COC[C@@H](C)SCCCCS(C)(=O)=O	160959421	RZJGJPODXBZKMC-SECBINFHSA-N	240.390	1.579	70	20	BDID	
COc1cccc(/C=C/C(=O)NCC(C)(C)N)c1	159949344	KEGNTXNLARLOHR-BQYQJAHWSA-N	248.326	1.562	70	20	BDID	
CCCCN(CCOC)C(=O)[C@@H](N)C(C)C	159551754	GCCLNKFVFSFVCB-NSHDSACASA-N	230.352	1.245	70	20	BDID	
CCOCCCN1CC[C@@H]([C@@H](C)O)C1	159472283	UIEBDWOIIHTFOR-GHMZBOCLSA-N	201.310	1.116	70	20	BDID	
CCCCSCC(=O)N[C@@H](CC)CCO	160131577	RRQHUAJWUGLIMP-JTQLQIEISA-N	233.377	1.797	70	20	BDID	
NC(=O)NCC1C2CC3CC(C2)CC1C3	160745135	WTIATQKISZHXHH-UHFFFAOYSA-N	208.305	1.727	70	20	BDID	
O=C(OC[C@H]1CCCO1)c1ccncc1F	161435204	FUIONYLBHNKGKV-MRVPVSSYSA-N	225.219	1.557	70	20	BDID	
COC(CN1CCS[C@H]2CCCC[C@@H]21)OC	161494390	KFSJNJXKRPYWKK-QWRGUYRKSA-N	245.388	1.965	70	20	BDID	
Cc1cc(C[C@H](C)NC(=O)[C@H]2C[C@@H]2C2CC2)n[nH]1	161309350	XNLJSDFJRYMHGD-CKLFPEKLSA-N	247.342	1.811	70	20	BDID	
CCc1nnc(NC(=O)CO[C@H](C)CC)s1	160339591	XFFTVTRRDYSOLB-SSDOTTSWSA-N	243.332	1.854	70	20	BDID	
CN(Cc1cccn1C)C(=O)c1ccon1	160554815	CJAGIBSYFYHIHO-UHFFFAOYSA-N	219.244	1.285	70	20	BDID	
CC(C)OC(=O)CCN(C)C[C@@H]1CCC[C@@H]1O	159837915	WHJVVNAXZKAUAU-RYUDHWBXSA-N	243.347	1.421	70	20	BDID	
CCCN(CC)C(=O)[C@@]1(C)CCCCN1	159562238	CEKWLZZSOSOIKL-GFCCVEGCSA-N	212.337	1.777	70	20	BDID	
CN[C@H]1CCN(C(=O)CCCCSC)C1	160537516	BQGPYHJQJIGKBS-JTQLQIEISA-N	230.377	1.340	70	20	BDID	
COc1ccc2snnc2c1S(=O)(=O)F	675067053	XJRCVMOBILYDJX-UHFFFAOYSA-N	248.260	1.358	70	20	BDID	
C[C@@H](NC[C@H](O)C(F)F)c1cscn1	218266183	KIVSHCATINMKRB-VDTYLAMSSA-N	222.260	1.420	70	20	BDID	
C[C@H](N)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1	161053572	AEPNQQKKXHBOIZ-YUTCNCBUSA-N	246.354	1.861	70	20	BDID	
CC[C@]1(C)C[C@@H]1C(=O)Nc1nncs1	160300159	IXYPGQYWLBLZMU-HZGVNTEJSA-N	211.290	1.913	70	20	BDID	
CS[C@@H](C)CNC(=O)NC1CC=CC1	160362440	XOBDEPBAUDLSDZ-QMMMGPOBSA-N	214.334	1.756	70	20	BDID	
CCOCCNC(=O)c1cc([C@@H](C)CC)no1	160910867	JQKOKSBRLQUKDO-VIFPVBQESA-N	240.303	1.954	70	20	BDID	
Cc1cc(C(=O)N(C)Cc2cccn2C)no1	160940776	FHZJQFDKMGPEDV-UHFFFAOYSA-N	233.271	1.594	70	20	BDID	
CCCNC(=O)CN(CCC)CCSCC	159422520	RYFHSUBEBGUPHA-UHFFFAOYSA-N	246.420	1.978	70	20	BDID	
COCCCCN1CC[C@H]([C@@H](C)N)C1	159456338	CHYNVRUJSFVIFB-MNOVXSKESA-N	200.326	1.082	70	20	BDID	
C[C@H](N)C(=O)N[C@H]1CCC[C@H]1c1ccccc1	159713672	KGYYCANFZYVEPO-DRZSPHRISA-N	232.327	1.786	70	20	BDID	
CC[C@@H](CSC)NCc1ncnn1C	217329772	XDNFLULUMVXVPC-QMMMGPOBSA-N	214.338	1.046	70	20	BDID	
CCCCO[C@@H](C)C(=O)NC[C@@H](C)CCO	160966099	HLMVBHHJLBZMKO-QWRGUYRKSA-N	231.336	1.326	70	20	BDID	
Cc1nnc(CSc2ccccn2)n1C	160983461	QTSKYYVNCOEEQI-UHFFFAOYSA-N	220.301	1.811	70	20	BDID	
COCC(C)(C)C(=O)N[C@@H](C)c1cccnc1	159647140	ZTLBCUYWTKDDBL-JTQLQIEISA-N	236.315	1.931	70	20	BDID	
c1cn(CCN(C[C@@H]2CCOC2)C2CC2)cn1	159744839	DMCBJOWANWHHIQ-LBPRGKRZSA-N	235.331	1.384	70	20	BDID	
NC1(CNC(=O)CC2CCC2)CCCCC1	159492609	NDWZMWOVGAEPDW-UHFFFAOYSA-N	224.348	1.954	70	20	BDID	
OCCN[C@@H]1CCC[C@H]1c1ccccc1	159691912	HHIBBEJMRGXRDN-QWHCGFSZSA-N	205.301	1.905	70	20	BDID	
CCCCC(=O)N[C@@H](CCO)C(C)C	160577217	AGWCSPMXMGMIOZ-JTQLQIEISA-N	201.310	1.700	70	20	BDID	
CCN(C)C(=O)N1CC[C@@H]2[C@@H](CCCN2C)C1	160706066	CVSVATVNUUGVER-NWDGAFQWSA-N	239.363	1.474	70	20	BDID	
Cc1cc(CN2CC[C@@H](N)C[C@H]2C)no1	217183367	YMGJCLQUIYNMTA-PSASIEDQSA-N	209.293	1.295	70	20	BDID	
Cc1cnc(C(=O)NCC2(C3CC3)CC2)cn1	160009703	HVXGLUKJUWYENN-UHFFFAOYSA-N	231.299	1.705	70	20	BDID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@@H](C)OC	160038709	PCRLVIPNCIPIMJ-SKDRFNHKSA-N	249.310	1.834	70	20	BDID	
C1CCC(CN2CCC3(C2)OCCO3)C1	160688863	MGMKFVNIJJLYEK-UHFFFAOYSA-N	211.305	1.625	70	20	BDID	
C[C@H]1SCCN(C(=O)CNC2CC2)[C@@H]1C	159623073	CZLBZAAEPVJGNL-RKDXNWHRSA-N	228.361	1.091	70	20	BDID	
CS[C@H](C)C(=O)Nc1c[nH]c(=O)c(C)c1	159748189	ANYUUKQAMILNMK-SSDOTTSWSA-N	226.301	1.373	70	20	BDID	
CC(C)(O)CNC(=O)CCCn1cccc1	159751971	BHMDVEPRROEFGW-UHFFFAOYSA-N	224.304	1.155	70	20	BDID	
O=C(/C=C\c1ccccc1F)NCc1ncc[nH]1	217009283	SLYUDWAMUBMJAC-WAYWQWQTSA-N	245.257	1.878	70	20	BDID	
Cc1nc(Cl)cc(N2CCC[C@@](C)(O)C2)n1	160843821	XNJRYJNQVUWLFB-LLVKDONJSA-N	241.722	1.790	70	20	BDID	
CCOCCN[C@H](C)c1cscn1	161157279	GPVPIACEVMRFHZ-MRVPVSSYSA-N	200.307	1.830	70	20	BDID	
C[C@H]1CN(S(=O)(=O)Cl)C[C@H](C)S1	112134811	JDVSNQIQGBDNPL-WDSKDSINSA-N	229.754	1.296	70	20	BDID	
C[C@H](CO)Sc1nccn(C2CC2)c1=O	161196251	CONVZFOZYQNVTM-SSDOTTSWSA-N	226.301	1.051	70	20	BDID	
OCCOc1ccc(-n2cccn2)cc1	160005362	IUWSUZQMFBVXQV-UHFFFAOYSA-N	204.229	1.243	70	20	BDID	
COC[C@H](C)N(C)Cc1cc(O)cc(F)c1	159824230	AJEZNORDTJOTCD-VIFPVBQESA-N	227.279	1.998	70	20	BDID	
CS[C@H](C)CNC(=O)CNC(C)(C)C	159469270	JKJWVOSPSJTMNC-MRVPVSSYSA-N	218.366	1.242	70	20	BDID	
CC1(C)C[C@H](NC(=S)NC2CC2)CCO1	159748433	DURFFNJONUEQKJ-SECBINFHSA-N	228.361	1.571	70	20	BDID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NCC(F)(F)F	159691629	LMNHTXJGZHCRPE-XPUUQOCRSA-N	237.221	1.670	70	20	BDID	
O=S(=O)(Cl)C[C@@H]1C[C@H]2CCCC[C@H]2O1	306261770	XGXUIARIXZWTIU-HRDYMLBCSA-N	238.736	1.903	70	20	BDID	
O=C(NCCCF)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	160318885	BIVIQRXKZFGBBA-AXTSPUMRSA-N	226.295	1.690	70	20	BDID	
CCO[C@H](CC)C(=O)N(C)Cc1cccn1C	160471515	BDWVIZCOVALRBZ-GFCCVEGCSA-N	238.331	1.799	70	20	BDID	
COc1cccnc1NCc1c[nH]nc1C	159445565	BWNLUPYSFKLDSL-UHFFFAOYSA-N	218.260	1.734	70	20	BDID	
CCNC(=S)N(C)[C@H]1CCSC1	160046947	LGUZVTATDZIWPU-ZETCQYMHSA-N	204.364	1.318	70	20	BDID	
CC[C@@]1(C)C[C@H]1C(=O)NCCNC(=O)C1CC1	159780524	GUVFFELQESMAPP-GWCFXTLKSA-N	238.331	1.065	70	20	BDID	
CCCC1(CNC(=O)CCC(=O)OC)CC1	160573483	HDNAOBPVIWXIOQ-UHFFFAOYSA-N	227.304	1.636	70	20	BDID	
Cn1cnnc1CN1CCCc2cc(F)ccc21	160777811	XSRAXLLHQZOGSA-UHFFFAOYSA-N	246.289	1.907	70	20	BDID	
CCc1ncnc(NC[C@@H]2CCOC2)c1F	217989263	ILHHTULRKQZIFD-QMMMGPOBSA-N	225.267	1.627	70	20	BDID	
O=C(NC1(CO)CCC1)C1[C@@H]2CCC[C@@H]12	161096212	BDHKRTPHBSEOOF-RKDXNWHRSA-N	209.289	1.064	70	20	BDID	
C[C@H](CO)N(C)C[C@@H](O)c1ccccc1	218147923	YPKGWHCOIOLMHP-ZYHUDNBSSA-N	209.289	1.033	70	20	BDID	
C[C@H](N)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F	161018745	LUAMPLPTCPHPQA-MHYGZLNHSA-N	240.253	1.284	70	20	BDID	
C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1	161053487	AEPNQQKKXHBOIZ-IACUBPJLSA-N	246.354	1.861	70	20	BDID	
CCCC[C@@H](COC)NC(=O)[C@H](N)C(C)C	161166615	VDGIGSJVTZBZJZ-WDEREUQCSA-N	230.352	1.291	70	20	BDID	
COC[C@H](C)N(C)Cc1ccc(CO)o1	161162859	MWPUKVZLTFOTQE-VIFPVBQESA-N	213.277	1.239	70	20	BDID	
CCCCN(CC)C(=O)N[C@@H]1CCOC1	159459959	FYZPVPHCCKAJSH-SNVBAGLBSA-N	214.309	1.607	70	20	BDID	
CC[C@]1(C)CCCN(C(=O)CCCN)C1	160778985	QENZXSFKUJECPO-GFCCVEGCSA-N	212.337	1.764	70	20	BDID	
CCOC(=O)CN(CCOCC1CC1)C1CC1	159603969	SQCKPNWGTMDDNA-UHFFFAOYSA-N	241.331	1.441	70	20	BDID	
O=S(=O)(F)C[C@H]1COc2ccccc2O1	675065429	DSEOMEDXNOIHTR-SSDOTTSWSA-N	232.232	1.126	70	20	BDID	
COCCN(C)CCN[C@H](C)C(C)(C)C	159402334	WAPYZLOESWOKPR-LLVKDONJSA-N	216.369	1.589	70	20	BDID	
CCN(Cc1nncn1C)c1ccccc1	160805016	ALZXSFRMAXTLGY-UHFFFAOYSA-N	216.288	1.842	70	20	BDID	
O=S(=O)(C[C@H]1CCCCO1)C1CCOCC1	160041049	BJFBWCIQCGHAAB-SNVBAGLBSA-N	248.344	1.149	70	20	BDID	
COCCN(CCOCC1CC1)CC(F)F	160553737	VUVXNGQMNFPEPW-UHFFFAOYSA-N	237.290	1.627	70	20	BDID	
CN(C(=O)N[C@H]1CCOC1)c1ccc(F)cc1	159461642	XZIDVHWBMBTLAI-JTQLQIEISA-N	238.262	1.760	70	20	BDID	
CCc1ccc(NC(=O)NC2(CO)CC2)cc1	159937870	POSBJNSODCZBLZ-UHFFFAOYSA-N	234.299	1.895	70	20	BDID	
CC(C)[C@H](O)CCNC(=O)C1(N)CCCCC1	160898948	AEUNTNLIJQBHHJ-LLVKDONJSA-N	242.363	1.171	70	20	BDID	
CC(C)N(C(=O)CS[C@H](C)CO)C(C)C	160770679	VRFYXYUQRIJUGK-SNVBAGLBSA-N	233.377	1.746	70	20	BDID	
CC[C@@H](CCO)Nc1ccc(Cl)nn1	217997597	QDCHFMVESMDLEA-ZETCQYMHSA-N	215.684	1.703	70	20	BDID	
OB1O[C@@H](c2ccccc2)c2ccccc21	196988007	UJEQOMQHKUCKBE-ZDUSSCGKSA-N	210.041	1.494	70	20	BDID	
CC[C@@H](O)CCNCC1CCN(C)CC1	218766114	RRHWJUNCVVLPOK-GFCCVEGCSA-N	214.353	1.079	70	20	BDID	
CC[C@]1(C)C[C@H]1C(=O)N1CC[C@H](NC)C1	160638708	IKNZCAAFDDEXSZ-JBLDHEPKSA-N	210.321	1.243	70	20	BDID	
CCN(C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	160483953	KLDIHADDJXULIU-GHMZBOCLSA-N	226.320	1.605	70	20	BDID	
Cc1cc(F)c(C(=O)NCC(C)(C)N)cc1F	159947169	QQKSJURMEVNVMG-UHFFFAOYSA-N	242.269	1.740	70	20	BDID	
CC(C)CN(C(=O)N[C@@H]1CCOC1)C(C)C	159553649	URYOGOVSKVZTNT-LLVKDONJSA-N	228.336	1.851	70	20	BDID	
COC(=O)[C@@H](Cc1ccccc1)[C@@H](C)NC(C)=O	217849649	LWUVHQWDGKQXIO-MFKMUULPSA-N	249.310	1.543	70	20	BDID	
CCOC(=O)[C@@H](C(=O)OC)c1ccccc1	217483097	MKEPLEKEKQGSLV-SNVBAGLBSA-N	222.240	1.506	70	20	BDID	
CCCC1(CNC(=O)c2c[nH]nn2)CC1	160534036	VTWWXTSMYKJXAL-UHFFFAOYSA-N	208.265	1.115	70	20	BDID	
CS[C@@H](C)CC(=O)NC1CCOCC1	160442183	VYUIYFSKWMGZBI-QMMMGPOBSA-N	217.334	1.423	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)CC(C)C	160033712	JLOLXJNGYMXYFK-VIFPVBQESA-N	215.293	1.490	70	20	BDID	
COc1cccc(NC[C@]2(OC)CCOC2)n1	160636049	XCHFYINOKKKFNR-GFCCVEGCSA-N	238.287	1.308	70	20	BDID	
O=C(N[C@@H]1CCOC1)N1CCCCCCC1	159442580	AFQCOIVUURGIKN-LLVKDONJSA-N	226.320	1.751	70	20	BDID	
CCOC[C@@H](C)Nc1ncccc1OC	159463691	YCCDFKMOUMTEDO-SECBINFHSA-N	210.277	1.927	70	20	BDID	
CC1(C)C[C@@H](NC(=O)NC2CCC2)CCO1	159891654	VVXNETNAZXUCMT-JTQLQIEISA-N	226.320	1.796	70	20	BDID	
CC1(CNc2ncccn2)CCNCC1	160011970	OUAMQPHSAKKWNO-UHFFFAOYSA-N	206.293	1.278	70	20	BDID	
CSC[C@H](CCO)N[C@@H]1CCN(C)[C@H](C)C1	160167181	MWGGXJHHYDHBAD-UTUOFQBUSA-N	246.420	1.173	70	20	BDID	
Cc1nc(Cn2cnc3c2CCCC3)no1	160724296	IDLVKMPCPRATDY-UHFFFAOYSA-N	218.260	1.502	70	20	BDID	
C[C@H](c1nccs1)S(=O)(=O)Cl	114431334	ULYKNZKMUFFEMF-SCSAIBSYSA-N	211.695	1.773	70	20	BDID	
CCC(CCS(=O)(=O)F)(C(C)=O)C(C)=O	883954411	MHMZIFSKTKYDES-UHFFFAOYSA-N	238.280	1.250	70	20	BDID	
O=S(=O)(NC[C@H](O)C1CCCCC1)C1CC1	159530538	ODTBTAGPIKCIPR-NSHDSACASA-N	247.360	1.009	70	20	BDID	
CCN(CCNC(=O)NC1(C)CCC1)C1CC1	160494902	PKVZYZFYBIZIIR-UHFFFAOYSA-N	239.363	1.713	70	20	BDID	
CN[C@@H]1CCN(C(=O)c2cccnc2Cl)C1	160641382	BTLPTAUQJOQERU-MRVPVSSYSA-N	239.706	1.169	70	20	BDID	
N[C@@H]1CCC[C@@H](NC(=O)c2cscn2)C1	160778647	PCJPHBJENOIOPL-HTQZYQBOSA-N	225.317	1.143	70	20	BDID	
NC[C@H]1CCCN1C(=O)c1cccc2cn[nH]c12	160276045	JJNREHGRWCBLSZ-SNVBAGLBSA-N	244.298	1.126	70	20	BDID	
CCOC(=O)CN(C)C[C@H]1CCC(C)(C)O1	160825588	OEHJHGYDWMXWFK-SNVBAGLBSA-N	229.320	1.439	70	20	BDID	
CCN(CCOC)C(=O)c1ccncc1F	161388768	NGEFGROITYVDDT-UHFFFAOYSA-N	226.251	1.329	70	20	BDID	
CC[C@H](C)OCC(=O)N(C)C[C@H]1CCOC1	161396460	GRVGLZARTDOAAM-WDEREUQCSA-N	229.320	1.296	70	20	BDID	
FC(F)(F)CSCCN1CCOCC1	160059884	WCTKJZQOJTXKHX-UHFFFAOYSA-N	229.267	1.614	70	20	BDID	
CCCN(CCCOCC)CC(=O)N(C)C	159499809	KGDRYGIBSHQKME-UHFFFAOYSA-N	230.352	1.213	70	20	BDID	
CCC[C@H](N)C(=O)N1CCOC[C@@H]1CC(C)C	159630435	OADUACCBNHAFGF-RYUDHWBXSA-N	242.363	1.387	70	20	BDID	
C[C@@H](NCCC(C)(C)O)c1nnc2ccccn12	159776540	LZBYMDNVOQFXMW-SNVBAGLBSA-N	248.330	1.541	70	20	BDID	
CSCCCCC(=O)N[C@@H]1CCC[C@@H](N)C1	161245812	VHHDSHFTQAJUNY-GHMZBOCLSA-N	244.404	1.906	70	20	BDID	
CNCCNCc1csc(Br)c1	161254565	RDCLKVPYERLZID-UHFFFAOYSA-N	249.177	1.820	70	20	BDID	
CCCCCC(=O)N[C@H]1CCC[C@@H](N)C1	161394693	IJNSHAZLQTZAEH-MNOVXSKESA-N	212.337	1.953	70	20	BDID	
CC[C@@H](C)C(=O)NC[C@@](C)(O)CSC	217633786	ANMSJBXHKNVVNJ-PSASIEDQSA-N	219.350	1.263	70	20	BDID	
CC[C@@H](O)CCN[C@H]1CCOC(C)(C)C1	218763213	QVWXNXCQBRHSRF-WDEREUQCSA-N	215.337	1.695	70	20	BDID	
Cc1cccc2ncc(S(=O)(=O)Cl)n12	212250838	YQMGZOOGUAHXQD-UHFFFAOYSA-N	230.676	1.570	70	20	BDID	
Cc1ccc([C@H](C)CNC(=O)[C@@H](C)N)cc1	161168945	XROWEUWUEBZEJO-GHMZBOCLSA-N	220.316	1.562	70	20	BDID	
CCO[C@@H]1C[C@H](NC(=O)[C@H](C)N)C12CCCC2	161110385	KJLQENRHMSEIHQ-GARJFASQSA-N	240.347	1.188	70	20	BDID	
CN[C@H]1CCN(C(=O)CSCCC(C)C)C1	160711902	NZKLYAYYSJGYDH-NSHDSACASA-N	244.404	1.586	70	20	BDID	
COC(=O)CNC(C)(C)c1ccccc1OC	160552115	LRRZLBRTUCZADM-UHFFFAOYSA-N	237.299	1.693	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CC=CCC1	160860163	OAQKQMLSHSXRKA-GHMZBOCLSA-N	239.315	1.801	70	20	BDID	
CC[C@H](NC(=O)CCOC)c1c(C)noc1C	159973564	MXPYEYSPWAFXOL-JTQLQIEISA-N	240.303	1.895	70	20	BDID	
C[C@H](N[C@H]1CCCNC1=O)c1cscn1	161179730	WWNVUNVUBACTRX-YUMQZZPRSA-N	225.317	1.072	70	20	BDID	
CCc1ncnc(NCCn2cccn2)c1F	159841204	YIFGRAUEMLMBPA-UHFFFAOYSA-N	235.266	1.487	70	20	BDID	
CC[C@@H](COC)NS(=O)(=O)CCC(C)C	160322631	QLLFNFABDWGTNC-JTQLQIEISA-N	237.365	1.377	70	20	BDID	
CC(C)N(C)C(=O)N[C@@H]1CCO[C@@H](C2CC2)C1	160350428	HUWKJRSSDFBFMK-VXGBXAGGSA-N	240.347	1.994	70	20	BDID	
CO[C@@H](C)C(=O)N(CC(C)C)C(C)C	160529039	AJPDEDJVFPXTPA-JTQLQIEISA-N	201.310	1.914	70	20	BDID	
CC(C)CN1CCC[C@@H]1CNC(=O)C1CC1	160568366	OCIPQBKFDYXMBS-GFCCVEGCSA-N	224.348	1.633	70	20	BDID	
CC(C)(CN)C(=O)NC[C@]1(C)CCCC[C@@H]1O	160841059	QFLOTMGHOCXVIK-GWCFXTLKSA-N	242.363	1.029	70	20	BDID	
OCCCNCCc1ccc(F)cc1F	159603031	XZTINBLEWHNADI-UHFFFAOYSA-N	215.243	1.479	70	20	BDID	
COC(=O)[C@H]1CCCC[C@@H]1S(=O)(=O)F	238854267	NFQHSHVCUVXEIF-BQBZGAKWSA-N	224.253	1.018	70	20	BDID	
CCCCN(C)Cc1nc(O)cc(CC)n1	160481729	XXEMPCSNSSCCEX-UHFFFAOYSA-N	223.320	1.977	70	20	BDID	
C[S@](=O)c1ccc(NC(=O)CCl)cc1	59496553	YBERWXRJIKDTPE-CQSZACIVSA-N	231.704	1.601	70	20	BDID	
CC(C)(CCO)NC(=O)C[C@@H]1C=CCC1	160784833	IJYVVOZALMNAFA-SNVBAGLBSA-N	211.305	1.620	70	20	BDID	
C[C@H]1CCCN(C(=O)[C@H]2CCNC2)[C@@H]1C	218265673	ZJXWJGFCQPRTQN-AXFHLTTASA-N	210.321	1.243	70	20	BDID	
CCN1CCCC[C@H]1CN[C@@H](C)[C@@H]1CCOC1	161169359	UHKLYHBGMVKXRD-MJBXVCDLSA-N	240.391	1.875	70	20	BDID	
CCONC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	161202792	XWCPPSWGVNPPEB-AEJSXWLSSA-N	240.303	1.195	70	20	BDID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1ccn(C)n1	160180297	PGQYNNZMWXJZRR-KWQFWETISA-N	207.277	1.795	70	20	BDID	
Cc1nc2n(n1)C[C@H](N[C@H](C)c1ccco1)CC2	160483292	SWMZUMUJENZYQP-MWLCHTKSSA-N	246.314	1.845	70	20	BDID	
CCOc1ccccc1N(C)CC(=O)NC1CC1	159402571	HSRZMUWHUVJKMV-UHFFFAOYSA-N	248.326	1.800	70	20	BDID	
CC(C)(C)OCC(=O)NOC(C)(C)C	159445594	QNCCEDLEMWYBPL-UHFFFAOYSA-N	203.282	1.648	70	20	BDID	
CC(C)S(=O)(=O)CCCN(C)[C@@H](C)C1CC1	161012179	QMUYXGTVMJRMFO-NSHDSACASA-N	247.404	1.930	70	20	BDID	
COCCN(C)CCCN1CCCCC1	161294002	CEQJGVNTAPJOIM-UHFFFAOYSA-N	214.353	1.441	70	20	BDID	
CCN(C(=O)c1ccncc1F)C1CC1	161387439	UTWURBMMHMKRTE-UHFFFAOYSA-N	208.236	1.845	70	20	BDID	
CNC(=O)c1ccc(NC(=O)C(F)F)cc1	217621238	PCZYKUHXYJWNSQ-UHFFFAOYSA-N	228.198	1.250	70	20	BDID	
CC(C)CNC(=O)NCc1ccc(CO)cc1	217269562	HFXZYUAKAWVBAI-UHFFFAOYSA-N	236.315	1.634	70	20	BDID	
CCC[C@@H](C(=O)Nc1ncnn1C)C(C)C	161026371	XUICYCQNNMUGHF-SECBINFHSA-N	224.308	1.826	70	20	BDID	
CCc1cccc(CC(=O)N(C)C[C@@H](C)O)c1	160098214	RLFXNYVYPKPMFW-LLVKDONJSA-N	235.327	1.631	70	20	BDID	
C[C@H](C(=O)N(C)[C@@H](C)CO)c1ccsc1	160452767	WZRFDHBMHHMGRK-IUCAKERBSA-N	227.329	1.691	70	20	BDID	
CN[C@@H]1CCN(C(=O)/C=C(/C)c2ccccc2)C1	160790348	SLLJDBQPNZYYGK-GAJOTYCWSA-N	244.338	1.910	70	20	BDID	
CCSCCN1CCC[C@@H](CNC(C)=O)C1	159727432	JZYRQKDODWWZJH-LBPRGKRZSA-N	244.404	1.588	70	20	BDID	
COC[C@@H](C)NC(=S)N[C@@H](C)C1CCC1	160039456	CTIQSJMVGHERQG-BDAKNGLRSA-N	230.377	1.674	70	20	BDID	
C[C@H]1CCC[C@H](N(C)Cc2nncn2C)C1	160776258	CUPNGMCIKXFNBR-QWRGUYRKSA-N	222.336	1.826	70	20	BDID	
Cc1cccc(CN2C(=O)CNC2=O)c1	217361238	VSZWMIVUDGWYBS-UHFFFAOYSA-N	204.229	1.047	70	20	BDID	
Cc1nccc(N(C)[C@@H]2CCN(C)C[C@@H]2C)n1	160425825	RJIMKIQSMSROJJ-CMPLNLGQSA-N	234.347	1.561	70	20	BDID	
CCC[C@@H](C)CC(=O)N(C)[C@@H](C)CO	160482594	FOYHAPCZNKOUSZ-ZJUUUORDSA-N	201.310	1.652	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](C)NC(C)=O	159780957	ILJXDLWEXCNHQP-IEBDPFPHSA-N	226.320	1.206	70	20	BDID	
CC(C)C[C@@H](C)CC(=O)NCC(C)(C)N	160069642	YFPVCINUMWZIDT-SNVBAGLBSA-N	214.353	1.912	70	20	BDID	
CCCC[C@H](NC(=O)[C@H](C)N)C1CCC1	160779384	IOJVKPROGWYVQB-ONGXEEELSA-N	212.337	1.809	70	20	BDID	
NCC[C@H]1CCN(C[C@H]2CCCCO2)C1	160041373	FGXJMZWAERCDLY-NWDGAFQWSA-N	212.337	1.226	70	20	BDID	
CCC[C@H](C)C(=O)NC(C)(C)CCO	160779559	PATJVTDNYSFSDD-VIFPVBQESA-N	201.310	1.700	70	20	BDID	
C[C@H](N)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C	161175197	LIQDDMOPYPRDTH-AXFHLTTASA-N	242.363	1.291	70	20	BDID	
CSCCN(C)Cc1ccnc(N)c1	160165277	LFPGLIHNVAEVSE-UHFFFAOYSA-N	211.334	1.459	70	20	BDID	
CO[C@@H](C)C(=O)NC[C@]1(C)CCCS1	160846774	DBKQBFCVTNKYDP-WPRPVWTQSA-N	217.334	1.423	70	20	BDID	
COC(=O)c1cncc(N2C[C@H]3CCC[C@H]3C2)n1	159905826	JIIPWNSRQPPPEO-AOOOYVTPSA-N	247.298	1.500	70	20	BDID	
COC[C@H](C)N[C@@H](CC(N)=O)C1CCCCC1	159751043	CKLPIJBFKONMDR-JQWIXIFHSA-N	242.363	1.435	70	20	BDID	
CCONC(=O)NC[C@@H](C)c1nccs1	159564907	BSVGRDBUWPDRBC-SSDOTTSWSA-N	229.305	1.497	70	20	BDID	
CC(C)NC(=O)c1ccc(S(=O)(=O)F)cc1	864237965	DCNTYIZFBWNKIY-UHFFFAOYSA-N	245.275	1.483	70	20	BDID	
CSC[C@H](CCO)N[C@@H](C)c1cncs1	160232374	KHMPKBFZXKZUGK-IUCAKERBSA-N	246.401	1.908	70	20	BDID	
CCNC(=S)N(C)CC1CCOCC1	161123805	YEJWILOKCMQBME-UHFFFAOYSA-N	216.350	1.239	70	20	BDID	
C[C@@]1(CNC(=O)N[C@H]2CCOC2)CCCS1	159428449	WEESLASUKLKGMY-ONGXEEELSA-N	244.360	1.360	70	20	BDID	
CCN1CCCN(C(=O)NCCC(C)C)CC1	159508825	FDYYRIQNDJUOES-UHFFFAOYSA-N	241.379	1.770	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cc[nH]n1	159758280	DUSRXKJYHPYCHS-RKDXNWHRSA-N	207.277	1.718	70	20	BDID	
NC(=O)CCCCSc1ccncc1	159957906	QOHFMOCCEYPWMC-UHFFFAOYSA-N	210.302	1.829	70	20	BDID	
Cc1ccc(CN2CCO[C@@H](CN)C2)s1	159504339	MWNHQSJKXSBDCU-JTQLQIEISA-N	226.345	1.216	70	20	BDID	
CCOCC(=O)N[C@@H]1CCc2c(OC)cccc21	160054644	MNXKNPACXJSGSJ-GFCCVEGCSA-N	249.310	1.835	70	20	BDID	
CCC[C@H](S[C@@H](C)CO)C(=O)OCC	160729322	ZKEQMSFBZLULIQ-IUCAKERBSA-N	220.334	1.832	70	20	BDID	
C[C@@]1(CNc2cnccn2)CCCNC1	160001237	VUNZEITWLUBBIU-LLVKDONJSA-N	206.293	1.278	70	20	BDID	
CC(C)CC(=O)N1CCS(=O)(=O)C(C)(C)C1	160063737	GFGPYEAEVKWHOQ-UHFFFAOYSA-N	247.360	1.068	70	20	BDID	
Cc1nc2n(n1)C[C@@H](NC(C1CC1)C1CC1)CC2	160361802	WYMTWVOCTIRULI-LBPRGKRZSA-N	246.358	1.680	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)CCCCOC	160578904	RQJYXEVEKWEESM-SNVBAGLBSA-N	245.319	1.261	70	20	BDID	
CO[C@H]1CCCN(CCOCC2CC2)C1	160439457	VXZZOYSNMHUAIY-LBPRGKRZSA-N	213.321	1.524	70	20	BDID	
Cc1ccc(NC(=O)c2cn[nH]c2C)cn1	160715377	MEHISUSQOJUIPK-UHFFFAOYSA-N	216.244	1.674	70	20	BDID	
COCCN(C)C(=O)c1cccc(C)c1F	161471373	UWFGBWMNNUAEID-UHFFFAOYSA-N	225.263	1.853	70	20	BDID	
Cn1c(C2CCC2)nnc1S(=O)(=O)Cl	227588558	FMPMKDOWAKDMTH-UHFFFAOYSA-N	235.696	1.010	70	20	BDID	
CCc1cc(C(=O)NC2(CO)CC2)oc1CC	160199193	UKZZZQYAYIFBIH-UHFFFAOYSA-N	237.299	1.659	70	20	BDID	
Cc1cc(F)ccc1C(=O)NC[C@H](C)N	159878867	INSOLUIQTKMJDA-QMMMGPOBSA-N	210.252	1.211	70	20	BDID	
C[C@@H](NCc1cc(Cl)ccc1F)C(N)=O	159912902	XNWMMIMOMCPZBE-ZCFIWIBFSA-N	230.670	1.443	70	20	BDID	
CC(C)CNC(=S)N[C@@]1(C)CCOC1	160042025	KNTZBPSMGYWTPI-JTQLQIEISA-N	216.350	1.286	70	20	BDID	
Cc1nc(CCCC(=O)NCCCN)cs1	160043115	KWLXHXUOZLDXDP-UHFFFAOYSA-N	241.360	1.239	70	20	BDID	
O=S(=O)(Cl)N(CC1CC1)CC1CC1	112158801	IRXNNIFABBYASW-UHFFFAOYSA-N	223.725	1.592	70	20	BDID	
CSC[C@H](CCO)N[C@@H]1CCN(C)[C@@H](C)C1	160167320	MWGGXJHHYDHBAD-TUAOUCFPSA-N	246.420	1.173	70	20	BDID	
C[C@H]1NCCC[C@H]1NC(=O)c1ccsc1	160542146	FFKLHCWXTAYQDV-PSASIEDQSA-N	224.329	1.618	70	20	BDID	
Cc1nnc(SCc2nnc(C)n2C)s1	160977782	KAADXKRPIPQUCU-UHFFFAOYSA-N	241.345	1.576	70	20	BDID	
CN(CC1CC1)C(=O)CS(=O)(=O)C(C)(C)C	161098244	YTHBUVCZLHPKBB-UHFFFAOYSA-N	247.360	1.068	70	20	BDID	
CCO[C@@H]1C[C@@H](NC(=O)CCN)C12CCCC2	161111128	PLGZGJMPOAILRZ-GHMZBOCLSA-N	240.347	1.189	70	20	BDID	
CC[C@H](C)OCC(=O)N1CCC[C@@H]1COC	160884208	YLFGSLOLQWFSTF-WDEREUQCSA-N	229.320	1.439	70	20	BDID	
CCCn1c(C)nnc1CN1CCC[C@H]1C	160099089	PTOZNZHDEGNIPK-SNVBAGLBSA-N	222.336	1.981	70	20	BDID	
C[C@@H]1Cc2ccccc2N1C(=O)N[C@@H]1CCOC1	159465352	UCGYKTJYBVNZLB-ZYHUDNBSSA-N	246.310	1.936	70	20	BDID	
CCc1ccc([C@H](C)CC(=O)NCCO)cc1	159388162	HYTWOUMBQSWPKU-LLVKDONJSA-N	235.327	1.851	70	20	BDID	
Cc1ccc(C(=O)N[C@H]2CCC[C@@H](N)C2)n1C	160904635	CSWAHUXQUXDDMQ-MNOVXSKESA-N	235.331	1.333	70	20	BDID	
CC[C@H](CCO)N[C@@H](C)c1cscn1	161208626	PUJLESAMQLLVNF-DTWKUNHWSA-N	214.334	1.955	70	20	BDID	
C[C@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	161393620	XYZZASBPRKZXDO-GXSJLCMTSA-N	248.326	1.752	70	20	BDID	
CN(CC(=O)c1ccccc1F)[C@H]1CCOC1	160031994	LWYRBBVKMGFFIU-JTQLQIEISA-N	237.274	1.729	70	20	BDID	
CCCC1(CNC(=O)c2ccnn2C)CC1	160704252	GWTDVRVRZSFNJY-UHFFFAOYSA-N	221.304	1.730	70	20	BDID	
CCCC1(CNC(=O)c2ccc(C)[nH]c2=O)CC1	160713998	SZJMXWRJKHLKIA-UHFFFAOYSA-N	248.326	1.993	70	20	BDID	
CCCCn1ncc(C(=O)NCC)c1C	160780786	LEMHEHGMZROJIN-UHFFFAOYSA-N	209.293	1.741	70	20	BDID	
CC(=O)N1CC[C@@H](NC(=O)[C@@H]2CC=CCC2)C1	159689415	SLKBPNQDUBNGDR-VXGBXAGGSA-N	236.315	1.080	70	20	BDID	
Cc1nnc2c(N[C@H]3CCSC3)nccn12	218059568	OXTUNJMEOBMRRA-QMMMGPOBSA-N	235.316	1.350	70	20	BDID	
CC(C)(C)NC(=O)N1CC[C@@H](CCN)C1	160005776	QRRAZABQYSUNRQ-SECBINFHSA-N	213.325	1.165	70	20	BDID	
CC[C@@H](N[C@@H](CCO)CSC)C1CC1	160388214	UWJJUWOGLQOTJF-WDEREUQCSA-N	217.378	1.879	70	20	BDID	
C[C@H](O)CCN[C@@H](C)c1cscn1	161199851	BOSZSOLVHVRBSR-YUMQZZPRSA-N	200.307	1.565	70	20	BDID	
Cc1cc(C(=O)CS[C@@H](C)CO)c(C)[nH]1	160749278	GBEWMGHNKRLIQW-QMMMGPOBSA-N	227.329	1.928	70	20	BDID	
CCc1ncnc(NCC(C)(C)N(C)C)c1F	217956779	DOUJXQXGKXNPBU-UHFFFAOYSA-N	240.326	1.930	70	20	BDID	
Cc1cc(C#N)ccc1CS(=O)(=O)Cl	229134666	PKBKPOSGSFNGSG-UHFFFAOYSA-N	229.688	1.935	70	20	BDID	
C[C@H](N)C(=O)Nc1cc(CC(C)(C)C)[nH]n1	161048049	PLVOWHBZIFBQMF-ZETCQYMHSA-N	224.308	1.284	70	20	BDID	
C[C@@]1(NC(=O)c2ccncc2Cl)CCOC1	160214732	QFBVLABUAXEWFU-LLVKDONJSA-N	240.690	1.644	70	20	BDID	
C[C@@H](CO)N(C)C(=O)[C@H](C)c1ccsc1	160452985	WZRFDHBMHHMGRK-DTWKUNHWSA-N	227.329	1.691	70	20	BDID	
CO[C@H](C)C(=O)NC[C@@]1(C)CCCS1	160847152	DBKQBFCVTNKYDP-PSASIEDQSA-N	217.334	1.423	70	20	BDID	
CC(C)CN(CC(N)=O)C(=O)C1CCCC1	159816489	LLMYVEKYAVMBGS-UHFFFAOYSA-N	226.320	1.147	70	20	BDID	
CC[C@@H]1CCCN(C(=O)N[C@@H]2CCOC2)C1	159443644	URWQTRABHKUMPU-GHMZBOCLSA-N	226.320	1.607	70	20	BDID	
CCC[C@@]1(C)CCCN(C(=O)[C@H](C)N)C1	160932136	ATGCALRTGNOEKZ-JQWIXIFHSA-N	212.337	1.762	70	20	BDID	
CC[C@H](O)CNC(=O)Cc1ccccc1	159707701	JZMNHMSWLMWNMW-NSHDSACASA-N	207.273	1.116	70	20	BDID	
Cc1cccn2c(S(=O)(=O)Cl)cnc12	212251018	WFNJSPBBORSZDU-UHFFFAOYSA-N	230.676	1.570	70	20	BDID	
O=C(NCCn1cccc1)NCC1(C2CC2)CC1	159943322	GSKOIWUCDDBMHL-UHFFFAOYSA-N	247.342	1.978	70	20	BDID	
Cc1cc(C(=O)O)c(F)c(S(=O)(=O)F)c1	238850433	BOADTFCDBCTCGW-UHFFFAOYSA-N	236.195	1.491	70	20	BDID	
Cn1nccc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	159584959	KWNUKUWTQKSCJT-XQQFMLRXSA-N	247.342	1.467	70	20	BDID	
CCn1nccc1CNCCCCOC	160008036	RKYTYOUIZBCIKI-UHFFFAOYSA-N	211.309	1.419	70	20	BDID	
CCc1nc2cc(F)c(F)cc2c(=O)[nH]1	160197504	MVUHQQPGXVVXMM-UHFFFAOYSA-N	210.183	1.764	70	20	BDID	
CC1(C)C[C@@H](Nc2ncccn2)CCO1	160679792	KIFUHNPAIXTVKY-VIFPVBQESA-N	207.277	1.846	70	20	BDID	
CCOC(=O)CNC(=O)[C@@H]1CCC[C@@H](C)C1	161060921	XPIGUOLKCIAZLW-NXEZZACHSA-N	227.304	1.492	70	20	BDID	
O=C(NC1(CO)CCC1)C1CCCCC1	161101286	MHADLHAWVNUKEE-UHFFFAOYSA-N	211.305	1.598	70	20	BDID	
CCC[C@H](O)CN[C@H]1CCCOCC1	161443879	MSBHVDDOYRMYKD-QWRGUYRKSA-N	201.310	1.306	70	20	BDID	
C[C@@H](NC[C@@H](O)C(F)F)c1cscn1	218266062	KIVSHCATINMKRB-IYSWYEEDSA-N	222.260	1.420	70	20	BDID	
CC[C@H]1CN(S(=O)(=O)Cl)C[C@H](CC)O1	307338654	UXNIMNPEMSJYNX-YUMQZZPRSA-N	241.740	1.359	70	20	BDID	
Cc1ccsc1CCCC(=O)NCCCO	161171684	DAMZRKDVJDIECN-UHFFFAOYSA-N	241.356	1.878	70	20	BDID	
Cc1ccc(NC(=O)N[C@H](C)[C@@H]2CCOC2)cn1	161330430	YWLFXYLKCXMOLC-GHMZBOCLSA-N	249.314	1.937	70	20	BDID	
CN[C@@H]1CCN(C(=O)[C@@H](C)c2cccc(C)c2)C1	160495573	VEFHIMHMUQLXAQ-GXTWGEPZSA-N	246.354	1.919	70	20	BDID	
CCCN(CC(=O)NC)C(=O)C[C@@H](C)SC	160726893	FFWIYQOFOMVBEV-SECBINFHSA-N	246.376	1.113	70	20	BDID	
CO[C@@H]1CCC[C@H]1NC(=O)NCC1CC1	159817297	ZXFWWISRMJEOLX-NXEZZACHSA-N	212.293	1.263	70	20	BDID	
CCC1(C(=O)N2CC[C@@H](NC)C2)CCC1	160589989	CNPOMGVQUWWYTG-SNVBAGLBSA-N	210.321	1.387	70	20	BDID	
O=C(c1ccc(Cl)o1)N1C[C@@H]2CC[C@H](C1)O2	217721418	GIFWOFSTDDTLIK-OCAPTIKFSA-N	241.674	1.936	70	20	BDID	
CCN(CC)C(=O)N1CCN(CC)[C@H](C)C1	159771397	YWYKFGRBBYZEKH-LLVKDONJSA-N	227.352	1.474	70	20	BDID	
CN(Cc1cccn1C)C(=O)c1ccccn1	160350520	HPWMKFRSXZGDII-UHFFFAOYSA-N	229.283	1.692	70	20	BDID	
CC(C)n1cc(CS(=O)(=O)Cl)cn1	232783800	OVMGSXWUSAMSCO-UHFFFAOYSA-N	222.697	1.533	70	20	BDID	
CCCCCN1C(=O)[C@@H]2CCCN2C1=O	159600303	XRFOTZJUGGFPRY-VIFPVBQESA-N	210.277	1.603	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)C1(C)CCC1	161026621	XGMGEUFUNVJQJY-SNVBAGLBSA-N	213.321	1.700	70	20	BDID	
Cc1nn(C)cc1CNCc1ccoc1	160141590	ZMAUDHITZXKSFI-UHFFFAOYSA-N	205.261	1.611	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)C1CC=CC1	160503389	JAVGKSAXKAJULN-VIFPVBQESA-N	225.288	1.411	70	20	BDID	
COCC[C@H](C)N1CC[C@H]([C@@H](C)N)C1	159507136	LGRBKLUTXMBCKX-AXFHLTTASA-N	200.326	1.081	70	20	BDID	
C[C@@H]1NCCC[C@H]1NC(=O)c1ccoc1	160539427	HJEVWMUPPVELBZ-WCBMZHEXSA-N	208.261	1.150	70	20	BDID	
Cc1nnc(NCC2(C)CCNCC2)s1	160014582	DJIUJKSUNCPUKX-UHFFFAOYSA-N	226.349	1.648	70	20	BDID	
CCCCO[C@H](C)C(=O)N(C)[C@H](C)CO	160505529	BSWJVJXRDSOTOA-NXEZZACHSA-N	217.309	1.031	70	20	BDID	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1cn[nH]c1	159543135	NNBZIMIEEGTADB-NSHDSACASA-N	249.314	1.631	70	20	BDID	
Cc1nc(CN(C)CCn2ccnc2)cs1	159779226	PMJDNLFJVDNPPV-UHFFFAOYSA-N	236.344	1.780	70	20	BDID	
CCC1(O)CN(C(=O)/C=C\c2cccnc2)C1	217476852	MQPQMQGXHHFCTL-WAYWQWQTSA-N	232.283	1.078	70	20	BDID	
NCC[C@H]1CCN(CC[C@H]2CCCO2)C1	160049639	BCXZMMRTXQSAJQ-NWDGAFQWSA-N	212.337	1.226	70	20	BDID	
CCc1ncc(CN[C@]2(C)CCOC2)s1	160194305	FMIIXQAERZAYGZ-LLVKDONJSA-N	226.345	1.974	70	20	BDID	
CC(C)(CCO)NC(=O)[C@@H]1CC=CCC1	160782123	XHCKCTOWBWALRD-SNVBAGLBSA-N	211.305	1.620	70	20	BDID	
CC[C@@H](CCO)N[C@@H](C)c1cscn1	161208497	PUJLESAMQLLVNF-IUCAKERBSA-N	214.334	1.955	70	20	BDID	
COCCCN(C)C(=O)c1ccncc1F	161401478	YRBADNNLCAZVTR-UHFFFAOYSA-N	226.251	1.329	70	20	BDID	
CC[C@@H](O)CCN[C@H]1CCCOCC1	161472431	KZAIATAMJBYIQJ-WDEREUQCSA-N	201.310	1.306	70	20	BDID	
CC[C@@H](C)N(C)CCNC(=O)CCC(C)=O	217918089	SESVOUZSTSPNCK-SNVBAGLBSA-N	228.336	1.202	70	20	BDID	
CN(Cc1cccn1C)C(=O)[C@H]1C[C@H]2CC[C@@H]1O2	160490277	XXPHIXCGUACVQQ-AGIUHOORSA-N	248.326	1.551	70	20	BDID	
O=C(OCc1cccnc1)[C@H]1CCCCO1	159467626	WQSLONDHPDAFFI-LLVKDONJSA-N	221.256	1.694	70	20	BDID	
C[C@@H](NC(=O)N[C@@H]1CCOC1)c1cccnc1	159440922	RQXNKSZCFHISKB-MWLCHTKSSA-N	235.287	1.231	70	20	BDID	
CO[C@@H]1CCCN(CCCN2CCCCC2)C1	160882988	VDOHOEPFIIMJNP-CQSZACIVSA-N	240.391	1.973	70	20	BDID	
Cc1cccc(C(=O)NC[C@H](C)N(C)C)c1F	161455088	TZZYKOYDOGPQRU-JTQLQIEISA-N	238.306	1.814	70	20	BDID	
CCOC(=O)CN(C)OCc1ccccc1	159589066	IIABIIRHELAIOB-UHFFFAOYSA-N	223.272	1.613	70	20	BDID	
C[C@@]1(c2ccccc2)CN(C(N)=O)CCO1	160190648	MGUDCTQMTSANAL-LBPRGKRZSA-N	220.272	1.313	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)CCOC(C)C	160157839	KGZKYGAQDURQFY-JTQLQIEISA-N	245.319	1.259	70	20	BDID	
CCCC[C@@H](CC)N[C@@H](C)CC(N)=O	160673878	UMLTXTDKMKQPJZ-VHSXEESVSA-N	200.326	1.809	70	20	BDID	
COc1cc(C)nc(Cn2ccccc2=O)c1	160973620	SFLSMDONFNCATD-UHFFFAOYSA-N	230.267	1.609	70	20	BDID	
CCCCNC(=O)NCC1=CCNCC1	160516533	COUCVWMFUGUHKB-UHFFFAOYSA-N	211.309	1.005	70	20	BDID	
CC[C@H](C)N(C)CCNC(=O)C(F)(F)F	217406778	HXXFTJHXULNFSK-ZETCQYMHSA-N	226.242	1.395	70	20	BDID	
C[C@@H](CC(=O)N(C)CCN(C)C)c1ccncc1	161111757	DLQRTFGUFMWLSU-LBPRGKRZSA-N	249.358	1.595	70	20	BDID	
CC1(C)C[C@@H](NC(=O)NCC2CC2)CCO1	161397722	NLDRMURGMJFWEF-JTQLQIEISA-N	226.320	1.653	70	20	BDID	
CSCCNC(=S)NC1CCCC1	159570704	PDRIEQZGPNUWCL-UHFFFAOYSA-N	218.391	1.756	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)c1c[nH]nn1	159719997	GJTIVJZQAHSZIY-JGVFFNPUSA-N	208.265	1.113	70	20	BDID	
CC[C@H](N[C@@H](CCO)CSC)C1CC1	160388074	UWJJUWOGLQOTJF-QWRGUYRKSA-N	217.378	1.879	70	20	BDID	
CCN(CCCO)[C@@H](C)C(=O)OC(C)(C)C	160731412	HZXAELLWLFXECV-JTQLQIEISA-N	231.336	1.421	70	20	BDID	
C[C@H](NC[C@@H](O)C(F)F)c1cscn1	218266122	KIVSHCATINMKRB-CAHLUQPWSA-N	222.260	1.420	70	20	BDID	
Cn1cc(CC(=O)NCC2(C3CC3)CC2)cn1	160116722	XNLSYZRBAQNMMU-UHFFFAOYSA-N	233.315	1.269	70	20	BDID	
CC1=CCN(C(=O)c2cscn2)CC1	160199019	KGBWLDUTRNYQLG-UHFFFAOYSA-N	208.286	1.935	70	20	BDID	
Cc1cc(C)c(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)o1	160235747	MXPINNNYHFTDAR-TXEJJXNPSA-N	248.326	1.863	70	20	BDID	
CCc1nc(CC(=O)N(C)[C@@H](C)CO)cs1	160527585	AVZZREORNBJWDV-QMMMGPOBSA-N	242.344	1.087	70	20	BDID	
O=C(CCc1ccccn1)NC1CC=CC1	160853446	BIALDDSIPWHMMS-UHFFFAOYSA-N	216.284	1.849	70	20	BDID	
CC(C)C(=O)OCCOC(=O)c1cccnc1	218658380	YNJWSVPCARSUPT-UHFFFAOYSA-N	237.255	1.438	70	20	BDID	
CC[C@H](C)C(=O)NC[C@]1(C)CCCNC1	159958095	UXZFRIZLUOTPFN-CMPLNLGQSA-N	212.337	1.538	70	20	BDID	
CSCCCNC(=O)c1ccncc1F	161404370	VBSHFEFAKAXAMI-UHFFFAOYSA-N	228.292	1.704	70	20	BDID	
Cn1cc(NCc2cc(O)cc(F)c2)cn1	159591056	CSCONMNQKVNYCJ-UHFFFAOYSA-N	221.235	1.877	70	20	BDID	
Cc1cccc([C@@H](C)NC(=O)[C@H](C)N)c1C	160833552	YWQPWMKMHIHMSL-WDEREUQCSA-N	220.316	1.828	70	20	BDID	
COC(=O)CNC(=O)C1CCC(F)(F)CC1	160997343	HWJUDKUEIPJPCG-UHFFFAOYSA-N	235.230	1.101	70	20	BDID	
COc1ccc(NC(=O)[C@H]2CCCCO2)cn1	159552475	RITVDOZOVVOGSP-SNVBAGLBSA-N	236.271	1.598	70	20	BDID	
CCSCCN(CC)Cc1cnn(C)c1	160096294	JOAVAAJQGFRHKP-UHFFFAOYSA-N	227.377	1.995	70	20	BDID	
CCC(N)(CC)CNC(=O)c1cncnc1C	160483222	IVSCBKPGLFWKFJ-UHFFFAOYSA-N	236.319	1.032	70	20	BDID	
COCCCCn1cnc2ccsc2c1=O	160985540	BNJZKXKQHLEFNC-UHFFFAOYSA-N	238.312	1.885	70	20	BDID	
O=C(Cc1cccs1)N[C@@H]1CCC[C@H]1O	161275603	UWRJXMBUFDQIQX-NXEZZACHSA-N	225.313	1.320	70	20	BDID	
CCCC[C@H](CC)CC(=O)NC[C@H](O)COC	159520126	NDPJWANMYXRSEG-RYUDHWBXSA-N	245.363	1.716	70	20	BDID	
CCC[C@@H](O)CN1CCCO[C@@H](C)C1	217595145	ILIOLQFNVGLTFH-WDEREUQCSA-N	201.310	1.258	70	20	BDID	
C[C@H]1CN(Cc2cnc(N)s2)CCS1	161282333	RLYJTKHAXLUECW-ZETCQYMHSA-N	229.374	1.663	70	20	BDID	
COc1ccc(C(=O)NCC2(C3CC3)CC2)nn1	160021073	SMJQXUDIXYCSQP-UHFFFAOYSA-N	247.298	1.405	70	20	BDID	
C[C@H](CO)N(C)C(=O)CCc1ccsc1	160373671	FNAHIXHQWSAUOZ-SECBINFHSA-N	227.329	1.520	70	20	BDID	
CCn1cc(C(=O)NCC(N)(CC)CC)cn1	160463055	KGXZZZWKBZXVIS-UHFFFAOYSA-N	238.335	1.150	70	20	BDID	
CCNC(=O)CN(CC)C(=O)[C@H]1C[C@]1(C)CC	160914005	XTHFKSMGJKEHEA-MFKMUULPSA-N	240.347	1.407	70	20	BDID	
CCn1ccnc1CN1CCOC[C@@H]1C	160775040	YUKZCDFDDKICGD-JTQLQIEISA-N	209.293	1.124	70	20	BDID	
C[C@H](NCC(C)(C)O)c1cncc(F)c1	160638248	PILWKHBOLQKOSD-QMMMGPOBSA-N	212.268	1.642	70	20	BDID	
C[C@@H](NC[C@H]1COCCO1)c1cscn1	161158948	MKVMMFLZIKJZLD-BDAKNGLRSA-N	228.317	1.209	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CN(C)CCO1	159663186	LXGQKESIQVKZLN-SRVKXCTJSA-N	240.347	1.012	70	20	BDID	
CC[C@@]1(C)C[C@@H]1C(=O)NCCNC(=O)C(C)C	159793062	SDOWLCCMXDMWIW-MFKMUULPSA-N	240.347	1.311	70	20	BDID	
CC[C@]1(C)C[C@@H]1C(=O)N(C)CC(=O)NC1CC1	160114430	LIQFXPDVTHNKRB-ZWNOBZJWSA-N	238.331	1.160	70	20	BDID	
Cc1ccc(C(=O)NC2CC=CC2)c(=O)[nH]1	160774342	HPADJPYLMPDXJN-UHFFFAOYSA-N	218.256	1.132	70	20	BDID	
COC[C@@H](C)N[C@H](CC(N)=O)C1CCCCC1	159751406	CKLPIJBFKONMDR-ZYHUDNBSSA-N	242.363	1.435	70	20	BDID	
Cc1ccc(C(=O)Nc2c[nH]c(=O)c(C)c2)o1	159599373	RYSOIFIGDXPHDH-UHFFFAOYSA-N	232.239	1.837	70	20	BDID	
CCCC[C@@H](COC)NC(=O)CCCN	161167631	FSBOPXGACJTCBG-JTQLQIEISA-N	216.325	1.047	70	20	BDID	
CNC[C@H]1CCCN1C(=O)CC[C@H]1CCOC1	161289482	KNYJNPAMQQWQSP-NWDGAFQWSA-N	240.347	1.014	70	20	BDID	
CC(C)(C)OCCCS(=O)(=O)Cl	112356648	JZSGARGLWNHLRQ-UHFFFAOYSA-N	214.714	1.760	70	20	BDID	
CS[C@@H]1CCC[C@@H](NC(=O)C2(N)CC2)C1	159569671	YBAZGGVUZNOGCJ-RKDXNWHRSA-N	228.361	1.268	70	20	BDID	
C[C@H](Sc1nc(N)nc(N)n1)C(F)(F)F	161256074	FFAGTEHVPMNOSS-REOHCLBHSA-N	239.226	1.079	70	20	BDID	
CCCCOCCCNC(=O)[C@H]1CCCCO1	161024019	UXPAELBOTHFLPN-GFCCVEGCSA-N	243.347	1.879	70	20	BDID	
CCN(CC)CCNC(=O)[C@H]1CCCCO1	160965700	ZQZYQPCFAAWNEM-LLVKDONJSA-N	228.336	1.014	70	20	BDID	
CN(C)[C@H](CNC(=O)[C@@H]1CC1(C)C)C1CC1	159579585	OAJRRKKXRBHVOO-WDEREUQCSA-N	224.348	1.489	70	20	BDID	
C[C@H]1CN(Cc2cc(O)cc(F)c2)CCO1	159814347	MNMFVGJDZXFVMU-VIFPVBQESA-N	225.263	1.752	70	20	BDID	
COC(=O)c1cncc(N2C[C@@H]3CCC[C@H]3C2)n1	159906109	JIIPWNSRQPPPEO-UWVGGRQHSA-N	247.298	1.500	70	20	BDID	
CC1(C)CCN(C(=O)N[C@@H]2CCOC2)C1	159549614	MCQPHBZJZCEOCD-SECBINFHSA-N	212.293	1.217	70	20	BDID	
CCc1ncnc(NCc2ccon2)c1F	218055324	NXPBLRPRKBBCFC-UHFFFAOYSA-N	222.223	1.778	70	20	BDID	
O=C(C[C@H]1C=CCC1)NC1(CO)CCC1	161112444	UNEGTUPFKREIAD-JTQLQIEISA-N	209.289	1.374	70	20	BDID	
CC(C)(N)C(=O)N[C@@H](Cc1ccccc1)C1CC1	161258254	DVWUWYNDFPXSKE-ZDUSSCGKSA-N	246.354	1.861	70	20	BDID	
N[C@@H]1CCC[C@H](NC(=O)CCc2cccnc2)C1	161239082	OWYBJTVZKQRQDL-OLZOCXBDSA-N	247.342	1.400	70	20	BDID	
O=S(=O)(F)Oc1ccc([C@H]2CCOC2)cc1	1887504037	FZMQQBIFIKXSMO-VIFPVBQESA-N	246.259	1.784	70	20	BDID	
CCCCCCc1nc(-c2nnc[nH]2)no1	161144795	FGMPENHQCLRUMK-UHFFFAOYSA-N	221.264	1.978	70	20	BDID	
Cc1nc(SCc2nncn2C)oc1C	161019107	GPWJXZNBWJHWRL-UHFFFAOYSA-N	224.289	1.712	70	20	BDID	
CCCCCN1C(=O)N[C@](C)(COC)C1=O	159653783	NUESGGOFPYDIPG-LLVKDONJSA-N	228.292	1.134	70	20	BDID	
Cc1ccc(CN(C)C(=O)N[C@H]2CCOC2)cc1	159371846	QDACYNLFGIUVRD-ZDUSSCGKSA-N	248.326	1.925	70	20	BDID	
Cn1cncc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	159673308	UQLCEYRQKBGZJR-XQQFMLRXSA-N	247.342	1.467	70	20	BDID	
C[C@H](O)[C@H]1CCCN(C(=O)NC(C)(C)C)C1	160898191	OBELBGZEUVLWSO-UWVGGRQHSA-N	228.336	1.587	70	20	BDID	
CCCCN1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O	217796668	VTJHMWVLZOPRKY-FIQHERPVSA-N	233.311	1.984	70	20	BDID	
CC[C@H](CCO)N[C@@H]1CCC[C@@H](N)C1	217691538	ODYBMLJLZUEXEM-GMTAPVOTSA-N	200.326	1.007	70	20	BDID	
CCCCNC1CCC(NC(C)=O)CC1	161244329	MVNHQGKIMAPGGA-UHFFFAOYSA-N	212.337	1.823	70	20	BDID	
CNC[C@H]1CCCN1C(=O)[C@H](C)CSC	161203014	QQBCHLRVEKWYIP-NXEZZACHSA-N	230.377	1.196	70	20	BDID	
CCN(CCCO)c1nc(C(C)C)ns1	161420497	NNWWGOABJIZICH-UHFFFAOYSA-N	229.349	1.870	70	20	BDID	
CCC[C@H](O)CNc1nccnc1Cl	218144573	VCQUHCOVDVNEIG-ZETCQYMHSA-N	215.684	1.703	70	20	BDID	
C[C@H]1Cc2ccccc2N1CCS(=O)(=O)F	822465352	WWZHQNMVMHRFAL-VIFPVBQESA-N	243.303	1.737	70	20	BDID	
O=S(=O)(Cl)C[C@@H]1C[C@@H]2CCCC[C@H]2O1	306261774	XGXUIARIXZWTIU-XHNCKOQMSA-N	238.736	1.903	70	20	BDID	
COC(CN1CCC[C@@H]1C1CCC1)OC	160886945	HCKQUJAAKKUSIR-LLVKDONJSA-N	213.321	1.870	70	20	BDID	
CC[C@@H](C)OCCOCCS(=O)(=O)Cl	112155516	DVSZDZMZSLPXMA-MRVPVSSYSA-N	244.740	1.387	70	20	BDID	
CC(C)(CCO)NC(=O)c1cc(Cl)c[nH]1	160769210	PXHJLCSWTPQOMG-UHFFFAOYSA-N	230.695	1.559	70	20	BDID	
CN(C(=O)CC[C@@H]1CCNC1)C1CCC1	160465840	CQIZRJBZPDEMAO-SNVBAGLBSA-N	210.321	1.387	70	20	BDID	
C[C@@H](CCC(C)(C)C)NC(=O)[C@@H]1CSCN1	161228284	JKUXDANCJMRVTO-UWVGGRQHSA-N	244.404	1.980	70	20	BDID	
N#Cc1ccc2[nH]cc(S(=O)(=O)Cl)c2c1	104536731	FRXYJHWXCYWFBI-UHFFFAOYSA-N	240.671	1.967	70	20	BDID	
COc1ccnc(NCCc2ccncc2)n1	161098184	HRRKYJSJDJMDHU-UHFFFAOYSA-N	230.271	1.535	70	20	BDID	
C[C@H](CC(N)=O)Nc1nc2ccccc2[nH]1	160553477	DIUNTASFZHFEPB-SSDOTTSWSA-N	218.260	1.239	70	20	BDID	
COc1ccccc1OC[C@H](C)CNC(N)=O	160574631	SMVBIPHZKQCORD-SECBINFHSA-N	238.287	1.378	70	20	BDID	
COc1cccc(CS[C@H](C)CO)n1	160784064	GGXRASUEJNPFBF-MRVPVSSYSA-N	213.302	1.704	70	20	BDID	
CN(CCO)C(=O)NCCC1CCCCC1	217305170	BRDQBSDVOICTOJ-UHFFFAOYSA-N	228.336	1.591	70	20	BDID	
CN1CCCN(C(=O)N2CCCCCC2)CC1	160339123	JGUZQTICSHVOQA-UHFFFAOYSA-N	239.363	1.620	70	20	BDID	
CCN(CCN[C@H]1CS[C@@H](C)C1)C1CC1	217416246	ZUHCIQCMZRVPPD-WDEREUQCSA-N	228.405	1.954	70	20	BDID	
Cc1cc(C(=O)NCCCOCC2CC2)ncn1	161289570	VPDVESLKNUOUFP-UHFFFAOYSA-N	249.314	1.332	70	20	BDID	
CC[C@@H](C)OCC(=O)N1CCOCC1(C)C	160959601	NMENXAMHAIYWDK-SNVBAGLBSA-N	229.320	1.439	70	20	BDID	
NCC(=O)N[C@H]1CCC[C@H]1c1ccccc1	159714925	LRDUUWQVZADGHI-RYUDHWBXSA-N	218.300	1.398	70	20	BDID	
CC1(C)COCCN1CCOCC1CC1	159519452	VYIRPPDRUSCUFC-UHFFFAOYSA-N	213.321	1.524	70	20	BDID	
COc1c(C)cc(C)cc1S(=O)(=O)F	105402783	IOAOUWSXTDXSNQ-UHFFFAOYSA-N	218.249	1.970	70	20	BDID	
Cc1csc2ncc(S(=O)(=O)Cl)n12	107008896	HGCMCPGSJJYDFT-UHFFFAOYSA-N	236.705	1.632	70	20	BDID	
CCc1ncc(NC(=O)NOCC(C)C)cn1	161246451	IXIRCEBRKHOEML-UHFFFAOYSA-N	238.291	1.748	70	20	BDID	
COc1cccnc1NCCn1ccnc1	160216743	VBYZIHLKVXTBMA-UHFFFAOYSA-N	218.260	1.399	70	20	BDID	
CC(C)CCNC(=O)N1CCC[C@@](C)(O)C1	159657534	TZIWWJZAVHNDDV-GFCCVEGCSA-N	228.336	1.589	70	20	BDID	
O=S(=O)(Cl)[C@@H]1CCCO[C@H]1F	1537958811	MQPFIYFUZBQJHP-RFZPGFLSSA-N	202.634	1.030	70	20	BDID	
COc1ccccc1[C@H]1CCN(C(=O)[C@@H](C)N)C1	161437769	BKNMSFMGJHBIEH-MNOVXSKESA-N	248.326	1.358	70	20	BDID	
CC(C)NC(=S)N[C@]1(C)CCOC1	160041689	DSTYWUWVQUBOBT-SECBINFHSA-N	202.323	1.038	70	20	BDID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C(C)C)C1CC1)CC2	160545512	OYOZAFGDYRNXDO-JSGCOSHPSA-N	248.374	1.926	70	20	BDID	
c1c[nH]c(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1	159527078	MSPPXWCGASHPEN-DLOVCJGASA-N	233.315	1.457	70	20	BDID	
C[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2CCOC2)C1	159387705	HSPNPJXJRFKIPA-GMTAPVOTSA-N	226.320	1.653	70	20	BDID	
COc1cc(OC)cc([B-](F)(F)F)c1	211360939	VOWHUAKIVAGLLF-UHFFFAOYSA-N	204.964	1.758	70	20	BDID	
CC(C)[C@@H](Cc1ccccc1)C(=O)N1CC(O)C1	161453901	XDCOLSZLSWGRQY-CQSZACIVSA-N	247.338	1.704	70	20	BDID	
CS[C@@H](C)CC(=O)NCc1ccnc(C)n1	160545845	KFOVBJDXWGBAAR-QMMMGPOBSA-N	239.344	1.543	70	20	BDID	
CC(C)c1ccc(C(=O)N2CCOCC2)cn1	160928429	PNADWZMGNPGVTQ-UHFFFAOYSA-N	234.299	1.677	70	20	BDID	
C[C@@H]1CN(Cc2cc(O)cc(F)c2)CCO1	159814189	MNMFVGJDZXFVMU-SECBINFHSA-N	225.263	1.752	70	20	BDID	
Cc1cc(F)ccc1C(=O)NC[C@@H](C)N	159878726	INSOLUIQTKMJDA-MRVPVSSYSA-N	210.252	1.211	70	20	BDID	
CCCN(CC)CCNC(=O)[C@@H]1CC1(C)C	159913062	FYSIFLBYQJOWEC-NSHDSACASA-N	226.364	1.881	70	20	BDID	
C[C@H]1CCN(c2nc(Cl)nc3nc[nH]c23)C1	160187234	SRIVKMKYYKHBIP-LURJTMIESA-N	237.694	1.853	70	20	BDID	
COc1cccc(CN(C)CCO)c1F	160510261	MBBBCRMTTIFUQK-UHFFFAOYSA-N	213.252	1.258	70	20	BDID	
C[C@@H](NCC(C)(C)O)c1cncc(F)c1	160638371	PILWKHBOLQKOSD-MRVPVSSYSA-N	212.268	1.642	70	20	BDID	
O=S(=O)(Cl)[C@H]1CCOC2(CCC2)C1	125805165	RKKNVNLREIVIRM-ZETCQYMHSA-N	224.709	1.657	70	20	BDID	
C[C@H](OC[C@@H]1CCCO1)C(=O)NC1CC=CC1	161009091	LAGLCTMXERVEHZ-JQWIXIFHSA-N	239.315	1.405	70	20	BDID	
CCCC1(CNC(=O)c2c[nH]c(=O)cc2C)CC1	160652230	GJNRPHHWSDDWKV-UHFFFAOYSA-N	248.326	1.993	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)[C@H](C)C1CC1	160679842	BZVNAUPDTUQELI-KOLCDFICSA-N	213.321	1.556	70	20	BDID	
CCC(CC)(CNCCOC(C)C)C(=O)OC	159662889	LUSHBLHMVNXXMP-UHFFFAOYSA-N	245.363	1.980	70	20	BDID	
Cc1ccc(CC(=O)NC[C@@H](O)C(C)C)cn1	159768265	PJIRGYDQBQJJTF-GFCCVEGCSA-N	236.315	1.066	70	20	BDID	
O=C(NCC1CCCC1)N[C@@H]1CCOC1	159387205	OIRZPFGJRBSBOZ-SNVBAGLBSA-N	212.293	1.265	70	20	BDID	
CC[C@H](N)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C	159880454	LTXZDXCRPYFNRZ-RHYQMDGZSA-N	224.348	1.903	70	20	BDID	
CCc1nc(C(=O)N[C@H](CO)CC(C)C)co1	159497281	RRZFCNHNCLNRQI-VIFPVBQESA-N	240.303	1.374	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)c1c[nH]nn1	159719800	GJTIVJZQAHSZIY-YUMQZZPRSA-N	208.265	1.113	70	20	BDID	
CCC(CC)C(=O)N1CC[C@H](CCN)C1	160002356	GYGNSRDNMSNGGC-JTQLQIEISA-N	212.337	1.620	70	20	BDID	
CCCN(CC)CCNCC1(C)COC1	217651135	DTTISKZCASKPAH-UHFFFAOYSA-N	214.353	1.344	70	20	BDID	
CC[C@H](O)CCN[C@@H]1CCO[C@@H](CC)C1	218753168	CJSJWOHNKPCJHL-WOPDTQHZSA-N	215.337	1.695	70	20	BDID	
NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@H]21	161047366	VHXBEAMQNFAJOU-HBNTYKKESA-N	202.257	1.383	70	20	BDID	
CC[C@]1(C)C[C@@H]1C(=O)NCC(=O)NC(C)C	160138547	NCTWHPBYWYPVOY-BXKDBHETSA-N	226.320	1.063	70	20	BDID	
C[C@H](Sc1ccccc1)C(=O)NCCCN	160115918	VJWAREQJJWGEKE-JTQLQIEISA-N	238.356	1.632	70	20	BDID	
O=C(Nc1cccnc1)[C@H]1CCCCO1	160598381	YNHOLSDHAIIHHC-SNVBAGLBSA-N	206.245	1.589	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(C)[nH]c1=O	159664513	BTFVNHJSALGTPW-JQWIXIFHSA-N	248.326	1.992	70	20	BDID	
CC(C)C[C@H](C)NC(=O)NC1CCN(C)CC1	159565889	PKRVCPINTWLERF-NSHDSACASA-N	241.379	1.814	70	20	BDID	
CSCC[C@H](C)N(C)c1cc(N)ncn1	159945108	QLCODDFNEZXAGQ-QMMMGPOBSA-N	226.349	1.637	70	20	BDID	
CC1(NC(=O)NCC(F)(F)F)CCC1	159969985	SGXNURWPDWUXHN-UHFFFAOYSA-N	210.199	1.791	70	20	BDID	
CN(CC(F)F)C(=O)CC[C@@H]1CCNC1	160460260	NMFSAWNPQMYQHC-MRVPVSSYSA-N	220.263	1.100	70	20	BDID	
C[C@H](NC[C@H]1COCCO1)c1cscn1	161158840	MKVMMFLZIKJZLD-IUCAKERBSA-N	228.317	1.209	70	20	BDID	
CN1CCC[C@@H](N(C)C(=O)NC2CCCC2)C1	160513877	IEQPJLWMTBRRTE-GFCCVEGCSA-N	239.363	1.665	70	20	BDID	
CNC(=O)CNCC1C2CC3CC(C2)CC1C3	216812225	QVYLZPJPRHXHSF-UHFFFAOYSA-N	236.359	1.394	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)c1cncs1	218168638	KMKBBAOACHIYDI-QMMMGPOBSA-N	228.317	1.280	70	20	BDID	
CC[C@@H](CCO)NCc1cncn1CC	217690896	GTBBEFOHJCJQKY-JTQLQIEISA-N	211.309	1.154	70	20	BDID	
CCC[C@H](N)C(=O)N[C@H]1CCC[C@@H](C)C1	217827341	UFDKMKLAEAIRMQ-VWYCJHECSA-N	212.337	1.809	70	20	BDID	
CCCCO[C@@H](C)C(=O)N1CCC[C@@H]1CNC	161346991	IFKYTVXTKDUTTJ-NWDGAFQWSA-N	242.363	1.402	70	20	BDID	
CC[C@@H](C)OCC(=O)N(C)Cc1cscn1	161216829	UVEHRRAHBOEYNJ-SECBINFHSA-N	242.344	1.917	70	20	BDID	
C[C@H]1CCc2c(sc(=O)n2CCO)C1	160001669	ZVCDRVYKDQZZPX-ZETCQYMHSA-N	213.302	1.027	70	20	BDID	
COc1ccc([C@H](C)N(C)S(=O)(=O)F)cc1	1887497346	SUBRJGRYOKWUFH-QMMMGPOBSA-N	247.291	1.902	70	20	BDID	
C/C=C\C(=O)N1CCC[C@@H]1C(=O)OCC	218200510	YXGUELQRKLCYIY-JVBZPZKUSA-N	211.261	1.117	70	20	BDID	
COCCCCN1CC[C@@H](N)[C@@H](C)C1	217749861	VICKWRAWTYSDCB-WDEREUQCSA-N	200.326	1.082	70	20	BDID	
CCc1ccccc1C(=O)NCCN(C)C	160559922	ULCUXNNFXFQYOX-UHFFFAOYSA-N	220.316	1.540	70	20	BDID	
CCCCOCC(=O)N[C@@H](CCO)C(C)C	160634945	MONJKVYZCHXWEP-NSHDSACASA-N	231.336	1.326	70	20	BDID	
O=[N+]([O-])c1cccc(F)c1S(=O)(=O)F	238852477	GFZMWAUZAOGNND-UHFFFAOYSA-N	223.156	1.392	70	20	BDID	
CCCCSCCC(=O)NCC(C)(C)N	160120922	MBJMIZITJJIXNX-UHFFFAOYSA-N	232.393	1.763	70	20	BDID	
COCC(C)(C)C(=O)NCc1ncccc1F	161326188	YDYWUQHKGSWDBN-UHFFFAOYSA-N	240.278	1.510	70	20	BDID	
CC1CCN(C(=O)N2CC[C@@H](N(C)C)C2)CC1	160555060	UQKIPDPNYQWIRL-GFCCVEGCSA-N	239.363	1.474	70	20	BDID	
CCCC1(CNC(=O)c2cc[nH]n2)CC1	160814484	LYXVFZCAFRATCR-UHFFFAOYSA-N	207.277	1.720	70	20	BDID	
O=C(Nc1nccs1)N[C@H]1CCOC1	159391236	OVEMCZJGCYDWDT-LURJTMIESA-N	213.262	1.054	70	20	BDID	
CCN(CC)C(=O)NCC(N)(CC)CC	160143564	GIAHOOUJWYFQMA-UHFFFAOYSA-N	215.341	1.555	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)CC1CCC1	161151616	ALIAXXFYDFIMPC-NSHDSACASA-N	213.321	1.700	70	20	BDID	
CCOCC(=O)Nc1cc(F)cc(OC)c1	161232524	OKBJLZVZTFNQJK-UHFFFAOYSA-N	227.235	1.809	70	20	BDID	
COC[C@@H](CS(=O)(=O)Cl)C(C)C	114434570	RAXOROSRKMZHLY-ZETCQYMHSA-N	214.714	1.474	70	20	BDID	
Fc1cncc(-c2nc3c(s2)CNCC3)c1	218740437	LJFFZDKCYDEEKN-UHFFFAOYSA-N	235.287	1.990	70	20	BDID	
CCCC[C@@H](CC)CC(=O)N1CC(O)C1	161453356	DGHRZPKMORRVRD-SNVBAGLBSA-N	213.321	1.796	70	20	BDID	
CCC(C)(CC)C(=O)NCc1ncn(C)n1	159413909	AZJMUXIBVXRVHR-UHFFFAOYSA-N	224.308	1.258	70	20	BDID	
C1=C(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)COCC1	159647797	QVRYSUPGTLYLSC-MJBXVCDLSA-N	249.354	1.880	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(C)no1	160217071	CXULSVUSHZIAOG-ZETCQYMHSA-N	240.259	1.055	70	20	BDID	
CC1CCC(NC(=O)N[C@H]2CCOC2)CC1	159455505	KXWYCMCLHTVQHU-ILDUYXDCSA-N	226.320	1.653	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1CCCS1	160170689	YKABRAUHDPFEOH-BDAKNGLRSA-N	245.344	1.340	70	20	BDID	
CC[C@@H](C)OCC(=O)NCc1ccn(C)c1	160425142	BZHUXSMYPMOCKI-SNVBAGLBSA-N	224.304	1.456	70	20	BDID	
CC[C@H](N)C(=O)NCCc1cc(F)ccc1F	159669005	ITQLOTMIVOSRCT-NSHDSACASA-N	242.269	1.361	70	20	BDID	
COCCCN(C)CCOCC1CC1	159687341	NHUYAIZZKNXBCO-UHFFFAOYSA-N	201.310	1.381	70	20	BDID	
O=S(=O)(F)Oc1cccc(Cl)c1	1887450657	FRCJVFXBOJRRLH-UHFFFAOYSA-N	210.613	1.933	70	20	BDID	
Cc1ccccc1CNC(=O)N(C)CCO	217313778	QJKGGTPWNGVTHJ-UHFFFAOYSA-N	222.288	1.129	70	20	BDID	
O=C(NCc1cccc(F)c1)Nc1ncccn1	217314736	FCEYQITXZCOZAD-UHFFFAOYSA-N	246.245	1.937	70	20	BDID	
C[C@H](C(=O)NCC1(N)CCCCC1)C1CC1	159534062	JSKRHNTZBSEQFG-JTQLQIEISA-N	224.348	1.810	70	20	BDID	
CC1(Nc2nccn3cnnc23)CCC1	161425559	DIMQAHDTPHYMKO-UHFFFAOYSA-N	203.249	1.479	70	20	BDID	
Cn1ccc(C(=O)Nc2cc(C(C)(C)C)n[nH]2)n1	218197603	RCOAPESYMBQAMI-UHFFFAOYSA-N	247.302	1.693	70	20	BDID	
CC[C@H](N)C(=O)NC[C@@H](C)c1ccc(C)cc1	161169619	LWTGNQCPZHLFBC-YPMHNXCESA-N	234.343	1.952	70	20	BDID	
O=C(CCn1ccc2ccccc21)N1CC(O)C1	161489618	MPWSZFPAUXTVAI-UHFFFAOYSA-N	244.294	1.235	70	20	BDID	
CC[C@@H](C)OCC(=O)N(CC)CC(C)(C)O	160107407	WUAXYDYNDWZTOY-SNVBAGLBSA-N	231.336	1.421	70	20	BDID	
Cc1cccc([C@@H]2CCCN2CCCO)n1	159781255	FJGYYPLEVMXUBK-ZDUSSCGKSA-N	220.316	1.909	70	20	BDID	
O[C@H]1CCCN(CCCN2CCCCC2)C1	161252003	MOSNUUJYNBSDMI-ZDUSSCGKSA-N	226.364	1.319	70	20	BDID	
CSC[C@H](CCO)N[C@H]1CCN(C)[C@@H](C)C1	160167616	MWGGXJHHYDHBAD-SRVKXCTJSA-N	246.420	1.173	70	20	BDID	
CCCN1CCCN(C(=O)[C@@H](C)SC)CC1	160394867	ZQEUYYGICKRNGI-LLVKDONJSA-N	244.404	1.682	70	20	BDID	
Cc1cnc(N[C@@H](C)[C@H]2CCOC2)nc1	160431094	VHFUHQREOIQUKX-UWVGGRQHSA-N	207.277	1.622	70	20	BDID	
C[C@H]1NCCC[C@@H]1NC(=O)c1ccoc1	160539552	HJEVWMUPPVELBZ-SCZZXKLOSA-N	208.261	1.150	70	20	BDID	
CC(C)[C@@H](O)CN[C@@H](C)c1ccccn1	160892103	XSSZXSAIMVQCNM-JQWIXIFHSA-N	208.305	1.749	70	20	BDID	
C[C@@H](CNCC1(C)COC1)N(C)C1CC1	217543233	DHGJIRTWXJHYSM-JTQLQIEISA-N	212.337	1.095	70	20	BDID	
CCc1ccc(/C=C/C(=O)Nc2ncnn2C)o1	161133719	GROOYYFRCUKAIP-VOTSOKGWSA-N	246.270	1.622	70	20	BDID	
C[C@H]1CO[C@H](C)CN1C(=O)[C@@H]1CCCCO1	161215631	KPQWUBDHFKZYLC-AXFHLTTASA-N	227.304	1.191	70	20	BDID	
C[C@@H](CO)N(C)C(=O)CCc1ccsc1	160373546	FNAHIXHQWSAUOZ-VIFPVBQESA-N	227.329	1.520	70	20	BDID	
CO[C@@H](C)C(=O)NC[C@@]1(C)CCCS1	160847025	DBKQBFCVTNKYDP-WCBMZHEXSA-N	217.334	1.423	70	20	BDID	
CCOCC(=O)N(C)Cc1cccn1C	160531754	KXDHKNUAQSKLQW-UHFFFAOYSA-N	210.277	1.020	70	20	BDID	
C[C@H](N[C@@H]1CCC[C@H](N(C)C)C1)[C@H]1CCOC1	161026995	AFNWDBFJZJVSSY-FQUUOJAGSA-N	240.391	1.874	70	20	BDID	
Cc1cccc(OCCS(=O)(=O)Cl)c1	103977019	UJBKBBMQNDQJSK-UHFFFAOYSA-N	234.704	1.942	70	20	BDID	
CC[C@@H](Oc1cccc(C)c1F)C(N)=O	159477000	DXJQIVXHHHVVFJ-MRVPVSSYSA-N	211.236	1.777	70	20	BDID	
CCN(CC(F)(F)F)C(=O)[C@H](C)OC	160529296	MQJWNJATGYHPGB-LURJTMIESA-N	213.199	1.432	70	20	BDID	
COCC(=O)N1CC=C(C(F)(F)F)CC1	160574417	LKTDSZKKMLLSHI-UHFFFAOYSA-N	223.194	1.354	70	20	BDID	
CS[C@H](C)CC(=O)NC[C@@H]1CCN(C)C1	160654894	BVCXFVCDVYFFHZ-ZJUUUORDSA-N	230.377	1.196	70	20	BDID	
Cn1nccc1/C=C/C(=O)NCC1(C2CC2)CC1	159808826	NCDVIVXDVUZTJL-SNAWJCMRSA-N	245.326	1.740	70	20	BDID	
CCCC[C@@H](Sc1ncn[nH]1)C(=O)OC	160690187	RBIQHJXFHJYANI-SSDOTTSWSA-N	229.305	1.629	70	20	BDID	
O=C(NC1(CO)CCC1)c1ccccc1	161108326	QRXZUOWDDAJMAF-UHFFFAOYSA-N	205.257	1.331	70	20	BDID	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1NC(=O)CN	217822878	USPZVZKSBQFZDR-MXWKQRLJSA-N	212.337	1.522	70	20	BDID	
Cc1cc(C)nc(CS(=O)(=O)Cl)c1	307061395	KULONNUAXPAKDX-UHFFFAOYSA-N	219.693	1.767	70	20	BDID	
CC(C)C[C@@H](C)NC(=O)N[C@H]1CCOC1	159430733	HRIGASJDMKZSTG-ZJUUUORDSA-N	214.309	1.509	70	20	BDID	
CN(CC1CCOCC1)C(=O)Nc1cccnc1	159504411	MYTFPOHJWBAKRO-UHFFFAOYSA-N	249.314	1.972	70	20	BDID	
CSC[C@@H](C)C(=O)Nc1c[nH]c(=O)c(C)c1	159560964	IYOZTUYNZTVWPQ-MRVPVSSYSA-N	240.328	1.621	70	20	BDID	
CSCCCCC(=O)N1CCC[C@H]1CN	160181799	GPVCQVVDYBCEGW-JTQLQIEISA-N	230.377	1.469	70	20	BDID	
N[C@H]1CCC[C@H](NC(=O)c2cccnc2)C1	161005472	PUHCDSIYYROOJA-QWRGUYRKSA-N	219.288	1.081	70	20	BDID	
CCC[C@@H]1C[C@H](S(=O)(=O)Cl)CCO1	112132174	WTBYSCKWNAXNBO-HTQZYQBOSA-N	226.725	1.903	70	20	BDID	
C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C1CC1	161258109	SVSDLVCHUIZPMZ-GXFFZTMASA-N	232.327	1.471	70	20	BDID	
CCCC1(CNC(=O)C2(C(=O)NC)CC2)CC1	160748322	GSEGJHHHBBPUOD-UHFFFAOYSA-N	238.331	1.209	70	20	BDID	
CCOCCNC(=O)[C@@H]1CCC[C@H](C)C1	160907331	VBOUZEJXPXRBCJ-WDEREUQCSA-N	213.321	1.965	70	20	BDID	
CCCC[C@@H](COC)NC(=O)CC1(N)CCC1	159655016	BEJQFWQMTHKEEP-NSHDSACASA-N	242.363	1.579	70	20	BDID	
Cc1ccc(NC(=O)N[C@H]2CCOC2)cn1	159471030	XZQAQPJXFVGZKW-JTQLQIEISA-N	221.260	1.300	70	20	BDID	
CC[C@H](N)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C	159880157	LTXZDXCRPYFNRZ-WYUUTHIRSA-N	224.348	1.903	70	20	BDID	
CCCCCOCCS(=O)(=O)Cl	112155461	WAQSGMVSRZYNFV-UHFFFAOYSA-N	214.714	1.762	70	20	BDID	
CCN1CCN(C(=S)NC2CC2)C[C@@H]1C	159746160	LPPCXKADRRLHEV-VIFPVBQESA-N	227.377	1.049	70	20	BDID	
CCCN1CCCN(C(=O)CCCOC)CC1	160381271	BKLFKBOFVBAFHT-UHFFFAOYSA-N	242.363	1.357	70	20	BDID	
CCCCO[C@H](C)C(=O)N1CC[C@H](NC)C1	160756544	NJFRISGUEZJDJY-MNOVXSKESA-N	228.336	1.012	70	20	BDID	
Cc1cc(NC(=O)CC2CC2)c[nH]c1=O	159626868	HUZCPGBKWKVOGW-UHFFFAOYSA-N	206.245	1.422	70	20	BDID	
CC[C@@H]1CCCCN1C(=O)N[C@@H]1CCOC1	159543233	QNWDSZBZOUMOGK-GHMZBOCLSA-N	226.320	1.749	70	20	BDID	
CCOCCCNC(=S)N[C@@]1(C)CCOC1	160042864	YZTBWPVKGVMZJX-NSHDSACASA-N	246.376	1.056	70	20	BDID	
CCCC[C@@H](COC)NC(=O)[C@H](C)CNC	159652260	NSPPPJYNWJHVML-MNOVXSKESA-N	230.352	1.163	70	20	BDID	
CC[C@@H](C)CS(=O)(=O)Oc1cccnc1F	161115365	CKOGEATXUUNMMD-MRVPVSSYSA-N	247.291	1.975	70	20	BDID	
CO[C@H](C)C(=O)N[C@H]1CCOC2(CCCC2)C1	159459877	PBDHVCNYFMXSBP-MNOVXSKESA-N	241.331	1.629	70	20	BDID	
O=C(NCC1(C2CC2)CC1)c1cnccn1	159776422	BHPVDTGDSVDDQO-UHFFFAOYSA-N	217.272	1.397	70	20	BDID	
CC(C)c1cc(CNC(=O)[C@@H](N)C(C)C)on1	160149944	QBNDSMANRCDQJZ-NSHDSACASA-N	239.319	1.398	70	20	BDID	
NC(=O)c1cc(C(=O)Nc2ccc(O)cc2)c[nH]1	217763575	AUCHYAOWGUNIOO-UHFFFAOYSA-N	245.238	1.072	70	20	BDID	
CCN1CCN(C(=S)NC2CC2)C[C@H]1C	159746288	LPPCXKADRRLHEV-SECBINFHSA-N	227.377	1.049	70	20	BDID	
CCOCCCN(CC)Cc1cnn(C)c1	160097856	BRLDTZMVCBYEPO-UHFFFAOYSA-N	225.336	1.669	70	20	BDID	
CCOCC(=O)N[C@H]1CCc2c(OC)cccc21	160054768	MNXKNPACXJSGSJ-LBPRGKRZSA-N	249.310	1.835	70	20	BDID	
CCN(Cc1cnn(C)c1)Cc1nccn1C	161110904	HVAWTACTWIZRQS-UHFFFAOYSA-N	233.319	1.176	70	20	BDID	
CCN(Cc1cnn(C)c1)Cc1cc(C)on1	161093611	WHVLWJHVZYHURH-UHFFFAOYSA-N	234.303	1.739	70	20	BDID	
CN(Cc1cccnc1)C(=O)C(F)F	217612504	OCAZETQAMQRKJJ-UHFFFAOYSA-N	200.188	1.305	70	20	BDID	
CC(C)C[C@H]1CCCN(C(=O)CN(C)C)C1	161076533	CTTGUBQORVZRJM-GFCCVEGCSA-N	226.364	1.833	70	20	BDID	
CNC[C@@H]1CCCN1C(=O)CCCCSC	161206396	HTMMHHRPBTYHOU-NSHDSACASA-N	244.404	1.730	70	20	BDID	
C[C@@H](CO)N(C)C(=O)CCC(=O)c1ccccc1	160394775	MPUQHXAUUZEFRN-NSHDSACASA-N	249.310	1.489	70	20	BDID	
CCOCCC1(C(=O)N[C@H](C)COC)CCC1	160650671	RKVRWPBARVHDKB-LLVKDONJSA-N	243.347	1.734	70	20	BDID	
CC[C@H](C)OCC(=O)Nc1nc(C)no1	159886385	IFUMYIAUVZDXRS-LURJTMIESA-N	213.237	1.132	70	20	BDID	
COCCNC(=O)Nc1cc(Cl)ccn1	217307290	AVSXQMSMKKXRHT-UHFFFAOYSA-N	229.667	1.503	70	20	BDID	
CO[C@@H]1c2ccccc2C[C@H]1S(=O)(=O)Cl	299805258	GKKJYTPZEQJRGA-NXEZZACHSA-N	246.715	1.867	70	20	BDID	
O=C(N[C@H]1CCC[C@H]1CO)c1cncs1	217906721	IYDWKGKTIIFZBA-YUMQZZPRSA-N	226.301	1.034	70	20	BDID	
O=S(=O)(Cl)C[C@H]1COc2ccccc21	117913455	SSAWWOIBZKEPHO-SSDOTTSWSA-N	232.688	1.731	70	20	BDID	
CC[C@@H](C)OCC(=O)NC[C@H]1CCN(CC)C1	160122536	GBAPSNYEUWZZRF-VXGBXAGGSA-N	242.363	1.260	70	20	BDID	
CC[C@@H](C)C(=O)Nc1c[nH]c(=O)c(C)c1	159527427	XQPAMCCYPLKPFX-SSDOTTSWSA-N	208.261	1.668	70	20	BDID	
CC[C@@H](N)C(=O)NC[C@H]1CCc2ccccc21	159730804	UUBJEJFFKYNARC-DGCLKSJQSA-N	232.327	1.570	70	20	BDID	
O=C(CCCn1cccc1)NCCn1cccc1	159735035	KYFALJIIGGLBCW-UHFFFAOYSA-N	245.326	1.886	70	20	BDID	
C[C@@H](C1CC1)N(C)C(=O)N[C@H]1CCOC1	159551133	GFBFFJTZBYURIT-WPRPVWTQSA-N	212.293	1.215	70	20	BDID	
Cc1ccc(C(=O)NCC2(N)CCCCC2)o1	159653808	GHUMVNITTFYKQW-UHFFFAOYSA-N	236.315	1.979	70	20	BDID	
CN(Cc1cncs1)CC(C)(C)CN	159650922	IYTHCZWSIJUWGL-UHFFFAOYSA-N	213.350	1.560	70	20	BDID	
CC[C@@H](C)[C@@H](N)C(=O)NCCC(C)(C)C	160913649	HNJYSHSDPCJFEJ-NXEZZACHSA-N	214.353	1.912	70	20	BDID	
CC[C@H](CO)N[C@@H](C)c1cscn1	161132911	KUUNLJTYUBITKI-JGVFFNPUSA-N	200.307	1.565	70	20	BDID	
C[C@@H](NC(=O)c1cccc(F)n1)[C@@H]1CCOC1	161445315	YOXAXOCMZSVOKG-RKDXNWHRSA-N	238.262	1.376	70	20	BDID	
N#Cc1ccc(S(=O)(=O)Cl)cc1C#N	97971812	KPLLXVPDPQWJHP-UHFFFAOYSA-N	226.644	1.357	70	20	BDID	
CC[C@H](C)[C@H](C)NC(=O)c1cccnc1O	161064566	UFWWZPSPSMUCIO-IUCAKERBSA-N	222.288	1.952	70	20	BDID	
O=C(COCC(F)(F)F)NC1CC=CC1	161072699	HYUUYSZBHYTYPK-UHFFFAOYSA-N	223.194	1.400	70	20	BDID	
CN[C@@H]1CCN(C(=O)C[C@H](C)c2ccncc2)C1	160772876	IDEIJJSBAWVCJY-WCQYABFASA-N	247.342	1.396	70	20	BDID	
Cc1nc(COC(=O)[C@H]2CCOC2)c(C)s1	160774787	NHDAIWOMGFXGHN-VIFPVBQESA-N	241.312	1.840	70	20	BDID	
CC(C)CCN(C)C(=O)N[C@@H]1CCOC1	159438458	ZLGGMTNDJNNDIH-SNVBAGLBSA-N	214.309	1.463	70	20	BDID	
CC(=O)N1CC[C@H](NC(=O)[C@@H]2CC=CCC2)C1	159689295	SLKBPNQDUBNGDR-NEPJUHHUSA-N	236.315	1.080	70	20	BDID	
CCC(=O)N1CC[C@@H](N[C@@H](C)c2ccccn2)C1	159385499	GHBNWFKWMJVDAC-NWDGAFQWSA-N	247.342	1.743	70	20	BDID	
CSCC[C@@H](C)N(C)c1cc(N)ncn1	159945242	QLCODDFNEZXAGQ-MRVPVSSYSA-N	226.349	1.637	70	20	BDID	
C[C@@H](NCc1cc[nH]n1)c1cscn1	161192259	HOCJYGWEYBPYKU-SSDOTTSWSA-N	208.290	1.717	70	20	BDID	
O=C(NCCOc1ccccc1)C(F)F	217620534	NPOOQFYUIPDTBN-UHFFFAOYSA-N	215.199	1.447	70	20	BDID	
C[C@H](C1CC1)N(Cc1nncn1C)C1CC1	160773300	AVZJMDFWECLKQA-SECBINFHSA-N	220.320	1.578	70	20	BDID	
CNC(=O)[C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	159408885	VELXQBSBYVBFLL-BDAKNGLRSA-N	242.319	1.426	70	20	BDID	
CC[C@H](Oc1cccc(C)c1F)C(N)=O	159476866	DXJQIVXHHHVVFJ-QMMMGPOBSA-N	211.236	1.777	70	20	BDID	
Cc1ncsc1C(=O)NC1(CO)CCC1	161122194	BTTLGKVKBJEXPX-UHFFFAOYSA-N	226.301	1.096	70	20	BDID	
CCN(C)CCN[C@@H](C)c1cscn1	161174459	LUSABZUPZCTUBQ-VIFPVBQESA-N	213.350	1.745	70	20	BDID	
Cc1cc(C(=O)NCc2ccc(O)nc2)oc1C	161113352	HLDCGUGSNFQWBB-UHFFFAOYSA-N	246.266	1.927	70	20	BDID	
C[C@H](N)C(=O)N1CCc2cc(F)ccc2[C@@H]1C	161426256	WCGFVPCEXMXMIS-IUCAKERBSA-N	236.290	1.619	70	20	BDID	
CCC[C@@H]1CCc2c(sc(=O)n2CCO)C1	160001802	VFKDPCLYAOAFND-SECBINFHSA-N	241.356	1.807	70	20	BDID	
O=C(NCCc1cccs1)[C@@H]1CCCCO1	160020707	LUEVYPNDLSOPQI-NSHDSACASA-N	239.340	1.976	70	20	BDID	
CCCN(C)c1ccc(C(=O)NCCCN)cc1	160178691	GKHAGIYHZCQSPU-UHFFFAOYSA-N	249.358	1.611	70	20	BDID	
CC(C)C1CCC(NC(=O)CN(C)C)CC1	160472299	UZMGXZJUSKUFQB-UHFFFAOYSA-N	226.364	1.879	70	20	BDID	
CO[C@@H](C)C(=O)NCCCSCC(C)C	160702125	JFDAQZHVMDMIRS-JTQLQIEISA-N	233.377	1.917	70	20	BDID	
COCCC(=O)N[C@H]1CCOC2(CCCC2)C1	159589828	NBIKVPFDGYJHLL-NSHDSACASA-N	241.331	1.631	70	20	BDID	
O=C(NCc1ccc[nH]1)[C@H]1CCCCO1	159788515	IPHHJTSNLOAGIE-SNVBAGLBSA-N	208.261	1.200	70	20	BDID	
CC(C)[C@@H](N)C(=O)N(C)CCC1CCOCC1	161404962	BQPOQUGZGWCXGT-GFCCVEGCSA-N	242.363	1.245	70	20	BDID	
COC[C@@H](C)OCCCCS(=O)(=O)Cl	112155588	IACXVZPHBJGZLS-MRVPVSSYSA-N	244.740	1.387	70	20	BDID	
CCc1cnc(CN(C)CC(OC)OC)s1	161385763	FTAWQQOZSQKAPX-UHFFFAOYSA-N	244.360	1.756	70	20	BDID	
CN(C(=O)CC[C@H]1CCNC1)C1CCC1	160465994	CQIZRJBZPDEMAO-JTQLQIEISA-N	210.321	1.387	70	20	BDID	
CSC[C@H](C)C(=O)N[C@@H]1CCC[C@H](N)C1	160828970	BIBJMMJJULYIFD-LPEHRKFASA-N	230.377	1.372	70	20	BDID	
Cc1nc2n(n1)C[C@@H](N[C@H](C(C)C)C1CC1)CC2	160545265	OYOZAFGDYRNXDO-GXTWGEPZSA-N	248.374	1.926	70	20	BDID	
COC(=O)CCNC(=O)[C@H](C)c1cccc(C)c1	159417317	ZREHQHVSGGJLCL-LLVKDONJSA-N	249.310	1.778	70	20	BDID	
CCNC(=O)NCc1ccc(OCC)cc1	217300862	OHJGHOQZIHCREJ-UHFFFAOYSA-N	222.288	1.904	70	20	BDID	
CC[C@@H](C)OC(=O)c1cccc2n[nH]nc12	216680617	CMFAYWRWHJURSZ-SSDOTTSWSA-N	219.244	1.913	70	20	BDID	
Oc1cc(F)cc(CN[C@H]2CCCOC2)c1	159601872	HSZXGLSNZOTNEJ-NSHDSACASA-N	225.263	1.800	70	20	BDID	
C[C@@H](NCC(C)(C)O)c1cscn1	161194452	GSGODAHVCXLESN-SSDOTTSWSA-N	200.307	1.565	70	20	BDID	
OCCCN1CCC([C@@H](O)C(F)(F)F)CC1	161265720	BPGWKTQZXAEUDK-SECBINFHSA-N	241.253	1.004	70	20	BDID	
Cc1ccc(NC(=O)CN)cc1OC(F)F	160091617	FRJMZFIBGRDWFU-UHFFFAOYSA-N	230.214	1.494	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc(C)o1	160770800	XJUZJFXGERGYLB-MRVPVSSYSA-N	239.271	1.660	70	20	BDID	
Cc1cccnc1CN[C@H](CO)C(C)C	159631042	CIJGOMONMRLZMI-GFCCVEGCSA-N	208.305	1.497	70	20	BDID	
C[C@H](C(=O)NCc1ncc[nH]1)c1ccsc1	159865339	XANAJXLVIJUJHM-QMMMGPOBSA-N	235.312	1.891	70	20	BDID	
C/C=C/C=C\C(=O)N1CC(O)(C2CC2)C1	216959740	DPYXLUBAFLZAKC-IAROGAJJSA-N	207.273	1.102	70	20	BDID	
CCN(CCCO)C(=O)[C@H](C)C(C)C	160304442	ZRVQNVFYMVLOHS-SNVBAGLBSA-N	201.310	1.509	70	20	BDID	
C[C@H]1CCC[C@H](C(=O)N2CCNCC2)C1	159410750	UHSQMJPCOWNLBD-QWRGUYRKSA-N	210.321	1.245	70	20	BDID	
CCCS(=O)(=O)CCS[C@H](C)CCO	217973360	GMUGYSUMKHLBRP-SECBINFHSA-N	240.390	1.315	70	20	BDID	
CO[C@@H]1CCC[C@H](S(=O)(=O)Cl)C1	157450820	HWAUOHSZLJFCHX-RQJHMYQMSA-N	212.698	1.513	70	20	BDID	
CC[C@H](C)[C@H](C)NC(=O)c1cccc(=O)n1C	161055883	ULELFOBTDIAUJJ-UWVGGRQHSA-N	236.315	1.550	70	20	BDID	
O=C1NC2(CCC2)C(=O)N1Cc1nccs1	161307066	PBIAOONDDPRWON-UHFFFAOYSA-N	237.284	1.118	70	20	BDID	
CCCC(=O)N1CCN(c2cc(C)ccn2)CC1	161398371	OTBUAFHVJJEBPH-UHFFFAOYSA-N	247.342	1.839	70	20	BDID	
CC[C@H](C)OCC(=O)N(C)C[C@H]1CCCCO1	160421323	KWYYEQZNGJFOMG-NWDGAFQWSA-N	243.347	1.829	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@H]1C[C@@H]1C1CC1	160531783	SJHAVZOQUOYRDK-GDPRMGEGSA-N	239.315	1.490	70	20	BDID	
C[C@@H](CO)N(C)C(=O)c1cnn(C(C)(C)C)c1	160472657	ZUWOJDJJQCIQTG-VIFPVBQESA-N	239.319	1.091	70	20	BDID	
CCc1nc(CN2CCC[C@H]2C[C@@H](C)O)n[nH]1	159481713	NYSVRZQWRIDSPZ-ZJUUUORDSA-N	238.335	1.102	70	20	BDID	
CCC(CC)NC(=O)C(=O)Nc1ccc(C)nc1	159737276	FAICCZYAVCAZFD-UHFFFAOYSA-N	249.314	1.633	70	20	BDID	
CCC(CC)CNC(=O)N[C@@H]1CCOC1	159401497	BTPKETSNISFXIB-SNVBAGLBSA-N	214.309	1.511	70	20	BDID	
CC[C@H]1COCCN1C(=O)N1CCC(C)CC1	160368199	ZWBXUANQSKTJOW-LBPRGKRZSA-N	240.347	1.949	70	20	BDID	
O=S(=O)(Cl)[C@@H]1CC[C@H]2CC[C@H]1O2	307001307	BCFOUKDNQPLFRE-FSDSQADBSA-N	210.682	1.265	70	20	BDID	
O=S(=O)(Cl)Cc1cncn1C1CC1	117518556	IOOCDVKCYZEEOP-UHFFFAOYSA-N	220.681	1.287	70	20	BDID	
COC(=O)c1occ(S(=O)(=O)Cl)c1C	118865382	CHYRQTZSLUSELF-UHFFFAOYSA-N	238.648	1.302	70	20	BDID	
CC(C)(C)c1nnnn1Cc1nccs1	161271592	GPEXWMGUODSSQW-UHFFFAOYSA-N	223.305	1.475	70	20	BDID	
COc1ccnc(N[C@@H]2CCO[C@H](C3CC3)C2)n1	160289789	NMHSPENFAIPMHL-MNOVXSKESA-N	249.314	1.855	70	20	BDID	
C[C@H]1C[C@@H](C)CN1C(=O)N[C@@H]1CCOC1	159449124	UPZGUKRLOBIIOA-KXUCPTDWSA-N	212.293	1.215	70	20	BDID	
Cc1cccnc1NC(=O)c1cccc(=O)n1C	159744822	AGDSOMXIDLOBRX-UHFFFAOYSA-N	243.266	1.341	70	20	BDID	
CC[C@]1(C)C[C@@H]1C(=O)N1CC[C@H](NC)C1	160638461	IKNZCAAFDDEXSZ-HOSYDEDBSA-N	210.321	1.243	70	20	BDID	
CC(C)CNC(=S)N(C)[C@H]1CCSC1	160045881	ODOFGUXZGZPDPO-VIFPVBQESA-N	232.418	1.954	70	20	BDID	
Cc1cscc1C(=O)NC1(CO)CCC1	161091081	YIINHFCEQAQBEL-UHFFFAOYSA-N	225.313	1.701	70	20	BDID	
CC[C@@H](NCC(C)(C)O)c1cnn(C)c1	160589339	QIQGZXUHXBZFMV-SNVBAGLBSA-N	211.309	1.232	70	20	BDID	
CSCC[C@H](N)c1nc([C@H]2C[C@@H]2C)no1	161006640	JCHMPNNLDALSCY-FXQIFTODSA-N	227.333	1.946	70	20	BDID	
CCCC[C@H](CN)NC(=O)[C@]1(C)CCCNC1	161283914	OYTYKJWAVHQRGU-DGCLKSJQSA-N	241.379	1.010	70	20	BDID	
C[C@H]1c2ccc(F)cc2CCN1C(=O)[C@@H](C)N	161425987	WCGFVPCEXMXMIS-BDAKNGLRSA-N	236.290	1.619	70	20	BDID	
Cc1nc2n(n1)C[C@H](N[C@H](C(C)C)C1CC1)CC2	160545116	OYOZAFGDYRNXDO-TZMCWYRMSA-N	248.374	1.926	70	20	BDID	
CCC(C)(CC)C(=O)N1CCC[C@H](O)C1	159432106	DAUVGMZZDGHQTH-JTQLQIEISA-N	213.321	1.796	70	20	BDID	
CSCC[C@H](C)N(C)C(=O)N[C@@H]1CCOC1	159563768	VNRFKNLIJAVETE-VHSXEESVSA-N	246.376	1.558	70	20	BDID	
N#Cc1c(F)cccc1OS(=O)(=O)F	1887484396	QEKGVFZYOPDWCV-UHFFFAOYSA-N	219.168	1.290	70	20	BDID	
CCc1nc(CN[C@@H](C)[C@H](C)CC)n[nH]1	160454196	YCRUXUQLWCNSHX-BDAKNGLRSA-N	210.325	1.891	70	20	BDID	
Cc1c(C(=O)NCC2(C3CC3)CC2)cnn1C	160063078	RGBVOXOWUKIENG-UHFFFAOYSA-N	233.315	1.649	70	20	BDID	
CN(C[C@@H]1CCCN1C)C(=O)NC1CCCC1	160666400	GNKYXYHPLOTLHS-LBPRGKRZSA-N	239.363	1.665	70	20	BDID	
O=C(NCCc1ccccn1)[C@@H]1CCCCO1	160675355	AQRQJLPJWDGEQF-LBPRGKRZSA-N	234.299	1.309	70	20	BDID	
C[C@@H](C(=O)NCc1ncc[nH]1)c1ccsc1	159865478	XANAJXLVIJUJHM-MRVPVSSYSA-N	235.312	1.891	70	20	BDID	
CC(C)C[C@H](C)CC(=O)NCC(C)(C)N	160069744	YFPVCINUMWZIDT-JTQLQIEISA-N	214.353	1.912	70	20	BDID	
CC[C@H](O)CCNCc1ccnn1CC	160642002	LWRHTKCPUHFVQG-NSHDSACASA-N	211.309	1.154	70	20	BDID	
Cc1cc(NC(=O)CN(C)C)ccc1O	160666611	KIAPPNPNBWZHID-UHFFFAOYSA-N	208.261	1.201	70	20	BDID	
CSC[C@H](C)N[C@H]1CCCOCC1	161452448	FPPKDYMHKMOIQH-UWVGGRQHSA-N	203.351	1.897	70	20	BDID	
C[C@@H](Nc1ccc(C(N)=O)nn1)C1CCC1	160058624	WOVLCFBOKLJHOX-SSDOTTSWSA-N	220.276	1.176	70	20	BDID	
CCOC[C@@H]1CCN(C(=O)CO[C@@H](C)CC)C1	160391389	DWDARWINOVNGAS-NWDGAFQWSA-N	243.347	1.687	70	20	BDID	
C[C@@H]1C[C@@H]1C(=O)N(C)Cc1cccn1C	160508056	AJYZNEVCXMHIJU-KOLCDFICSA-N	206.289	1.640	70	20	BDID	
c1cn(CCNc2nc(C3CC3)ns2)nn1	159625857	AOVIUXLKVBFYNQ-UHFFFAOYSA-N	236.304	1.119	70	20	BDID	
CC(=O)c1cnc(NC(=O)CCCN)s1	161087995	WOSVDGHHMVIRQC-UHFFFAOYSA-N	227.289	1.023	70	20	BDID	
CCN(C)C(=O)N[C@@H]1CCN(C)[C@@H](C)C1	218002449	NOAKVFOXQRQROA-VHSXEESVSA-N	213.325	1.130	70	20	BDID	
CCN(C)C(=O)CNc1ccc(Cl)nn1	218623751	LJGKDEYKITVYTD-UHFFFAOYSA-N	228.683	1.020	70	20	BDID	
CCn1c(C(C)C)nnc1S(=O)(=O)Cl	161240434	MKNQUPCCXNLWGS-UHFFFAOYSA-N	237.712	1.349	70	20	BDID	
CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)N)C12CCCC2	161111774	KJLQENRHMSEIHQ-OUAUKWLOSA-N	240.347	1.188	70	20	BDID	
CCO[C@H]1CCCN(C(=O)CO[C@@H](C)CC)C1	161144900	UJYKXPXOKWFKCL-RYUDHWBXSA-N	243.347	1.829	70	20	BDID	
CCOc1cccc(C(=O)NCC(C)(C)N)c1	160063833	ZVLALRMXDHOBNK-UHFFFAOYSA-N	236.315	1.552	70	20	BDID	
CC[C@H](O)CNCc1cc(O)cc(F)c1	159622409	PJCSETOBRXERNA-JTQLQIEISA-N	213.252	1.392	70	20	BDID	
CCCCSCCC(=O)NC[C@@H](C)CO	160481069	YRZLEYXHLJLDIP-SNVBAGLBSA-N	233.377	1.654	70	20	BDID	
C[C@H](CO)N(C)C(=O)Cc1cc(F)ccc1F	160490363	ILZYAZIHIKMIPG-MRVPVSSYSA-N	243.253	1.347	70	20	BDID	
COC(=O)C[C@@H](C)C(=O)NCC1(C2CC2)CC1	159780893	AEJSICFLRXWYQU-SECBINFHSA-N	239.315	1.492	70	20	BDID	
CCCCOCCN1CC[C@@H](N)[C@@H](C)C1	218738656	JDFQWRCPTCOMSZ-NWDGAFQWSA-N	214.353	1.472	70	20	BDID	
O=C(NCCCO)Nc1c(F)cccc1Cl	217313187	CJGAHUSIWBKCDC-UHFFFAOYSA-N	246.669	1.983	70	20	BDID	
CN(CCOCC1CC1)CC(=O)OC(C)(C)C	160122115	CRMGXKUGIBIAJH-UHFFFAOYSA-N	243.347	1.687	70	20	BDID	
CC1(NC(=O)OCC(F)(F)F)CCOCC1	160790001	YMHHHYDLXYXEAX-UHFFFAOYSA-N	241.209	1.844	70	20	BDID	
C[C@@H](CC(N)=O)N[C@@H](C)c1cncs1	160672857	DUPPRMNMMCQHOP-BQBZGAKWSA-N	213.306	1.058	70	20	BDID	
COc1ccccc1CNC(=O)C(F)F	217638872	DPCDDALHPMHKOI-UHFFFAOYSA-N	215.199	1.577	70	20	BDID	
Cc1cccc(NC(=O)[C@H]2CCCCO2)n1	160089214	QZXFDFABXPZXMA-SNVBAGLBSA-N	220.272	1.898	70	20	BDID	
CN1CCCC[C@H]1CNC(=O)N1CCCCC1	160473128	QVTUCNHXGUDEQQ-LBPRGKRZSA-N	239.363	1.666	70	20	BDID	
COC(=O)C[C@@H](C)C(=O)Nc1ccccc1O	160521830	NRFUFSLDHMCSQS-MRVPVSSYSA-N	237.255	1.530	70	20	BDID	
CCSCCN1CCC[C@H]1C[C@@H](C)O	159373987	KEOPQWDENCCJFU-MNOVXSKESA-N	217.378	1.975	70	20	BDID	
CC1(C)C[C@@H]1C(=O)N[C@@H]1CCC[C@H](N)C1	160758033	IOROFQZJVDCBCS-IVZWLZJFSA-N	210.321	1.419	70	20	BDID	
CCc1ncnc(S[C@@H](C)CO)c1F	218052271	KNYHQXRAJJDKRY-LURJTMIESA-N	216.281	1.651	70	20	BDID	
CC[C@H](C)N(C)CCNC1CCNCC1	217889452	IXWSUMUJXQJFQL-NSHDSACASA-N	213.369	1.058	70	20	BDID	
COC(=O)CNC(=O)c1ccc(C(C)C)nc1	161253278	LMJYRKZSTVQTSR-UHFFFAOYSA-N	236.271	1.108	70	20	BDID	
CCCn1c(C)nnc1CN(C)CCSC	161377275	MGLIQIWYMFYJPA-UHFFFAOYSA-N	242.392	1.791	70	20	BDID	
CS[C@H](C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1	161507040	AYPZCOHXJQPJDF-IONNQARKSA-N	241.360	1.517	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)CC	160372667	NGQMNKSGHLCXJP-RKDXNWHRSA-N	215.293	1.490	70	20	BDID	
Cc1cc(C(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)[nH]n1	159811684	NPBIBJBCLZCZCY-CKYFFXLPSA-N	249.314	1.406	70	20	BDID	
C[C@H]1COCCN1C(=O)[C@@H]1CCC(=O)C[C@H]1C	159858228	MKCWQFMHBHHYAS-JFGNBEQYSA-N	239.315	1.239	70	20	BDID	
CCS(=O)(=O)CCSc1ccncc1	159894749	UZYNMDWSCSGOPR-UHFFFAOYSA-N	231.342	1.608	70	20	BDID	
CC(C)(C)NCCNCc1cccnc1	161457680	RRFXQAYBHPWJAF-UHFFFAOYSA-N	207.321	1.559	70	20	BDID	
CCOCC(=O)NC[C@H]1[C@H]2c3ccccc3C[C@H]21	161500289	IDQHPPHYIVQLRX-GUTXKFCHSA-N	245.322	1.725	70	20	BDID	
CC[C@H](C)C(=O)NOCc1cccnc1	160776491	XKZVZDXKCWYTIT-VIFPVBQESA-N	208.261	1.676	70	20	BDID	
CC[C@@H](C)CN(CC)C(=O)[C@@H](C)OC	160812354	UVTYZKHHFMGRLI-NXEZZACHSA-N	201.310	1.916	70	20	BDID	
CCN(CC(C)C)C(=O)N[C@H]1CCOC1	159558402	XAOGTBMATQUUJS-JTQLQIEISA-N	214.309	1.463	70	20	BDID	
CCOc1ccccc1N(C)CC(N)=O	159375214	RDWWRGLYJAHLON-UHFFFAOYSA-N	208.261	1.007	70	20	BDID	
Cc1cccc([C@H]2CCCN2CCCO)n1	159781376	FJGYYPLEVMXUBK-CYBMUJFWSA-N	220.316	1.909	70	20	BDID	
CC(C)COC(=O)c1cccc2n[nH]nc12	216680986	UXFQEQJTGWLMHC-UHFFFAOYSA-N	219.244	1.771	70	20	BDID	
CC[C@@H]1CN(C(=O)[C@H]2CCCCO2)CCO1	161351763	FBLKQTIGPKNSPJ-GHMZBOCLSA-N	227.304	1.193	70	20	BDID	
CCS[C@H](C(=O)N1CC[C@H](NC)C1)C(C)C	160806316	KRIUQRBCCUSGDT-QWRGUYRKSA-N	244.404	1.584	70	20	BDID	
CCc1nnc(Cn2cc(-n3cccc3)cn2)o1	160907421	AYDKCVZGQQAKRA-UHFFFAOYSA-N	243.270	1.668	70	20	BDID	
C[C@H](NC[C@@H]1CCOC1)c1cscn1	161166406	UJQDFMDQXNGWNS-IUCAKERBSA-N	212.318	1.830	70	20	BDID	
CCO[C@@H](CC)C(=O)NCC1(N)CCCCC1	159714479	WAOJDQWYJQCGED-NSHDSACASA-N	242.363	1.579	70	20	BDID	
CN1CCN(C(=O)NCC2CCCCC2)CC1	217593036	HPUOVUHTSVLYQW-UHFFFAOYSA-N	239.363	1.524	70	20	BDID	
Cc1cc(C(=O)N(C)Cc2ccncc2)ncn1	161393693	CSNFFOSWHFUIBZ-UHFFFAOYSA-N	242.282	1.452	70	20	BDID	
COc1cc(NC(=O)c2c[nH]nn2)ccc1F	160505132	MMGLGOGZKIBUJV-UHFFFAOYSA-N	236.206	1.205	70	20	BDID	
CCO[C@H](CC)C(=O)Nc1c[nH]c(=O)c(C)c1	159542930	XDUREOCPYMIKKM-SNVBAGLBSA-N	238.287	1.437	70	20	BDID	
CCCC[C@H](NC(=O)[C@@H](C)N)C1CCC1	160779642	IOJVKPROGWYVQB-KOLCDFICSA-N	212.337	1.809	70	20	BDID	
C[C@H](CCc1ccco1)NC(=O)C(F)F	218049241	PTCRWWPQUQSPMD-SSDOTTSWSA-N	217.215	1.982	70	20	BDID	
Cc1ccc(S(=O)(=O)Cl)c(C)c1CO	100465777	AVJITMMRQDKJHZ-UHFFFAOYSA-N	234.704	1.723	70	20	BDID	
Cn1cc(CCC(=O)NCC2(C3CC3)CC2)cn1	160042348	WORLGQUAQWUBPH-UHFFFAOYSA-N	247.342	1.659	70	20	BDID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cc[nH]n1	159446092	AGDRDVBMWLOQSE-SNVBAGLBSA-N	249.314	1.631	70	20	BDID	
C[C@H]1NCCC[C@H]1Nc1ncc(F)cn1	160557375	RIAGCKJYHMDSEC-VXNVDRBHSA-N	210.256	1.168	70	20	BDID	
C[C@H]1CN(CCS(=O)(=O)F)c2ccccc21	883954353	KDCBZKURRCONGU-VIFPVBQESA-N	243.303	1.909	70	20	BDID	
CO[C@@H](C)C(=O)N1CCc2c(F)cccc2C1	161093470	YEGWIMHHUISQMX-VIFPVBQESA-N	237.274	1.745	70	20	BDID	
CN(C)CCN(C)c1nc(C(C)(C)C)ns1	159803051	WHLGGEGOLBJKKV-UHFFFAOYSA-N	242.392	1.833	70	20	BDID	
COCCN(CC(C)C)C(=O)N[C@H]1CCOC1	159453701	FZRATHAYRBDNNN-NSHDSACASA-N	244.335	1.089	70	20	BDID	
COc1cccnc1NC[C@H]1CCCOC1	159455099	ZMPONBUNMNXVTG-SNVBAGLBSA-N	222.288	1.929	70	20	BDID	
C[C@H](C1CC1)N(C)C(=O)N[C@@H]1CCOC1	159550998	GFBFFJTZBYURIT-PSASIEDQSA-N	212.293	1.215	70	20	BDID	
CC(C)[C@H]1C[C@H](S(=O)(=O)Cl)CCO1	112132207	OWBFSTPOQHSMPP-HTQZYQBOSA-N	226.725	1.759	70	20	BDID	
Cc1csc(NC(=O)CS[C@@H](C)CO)n1	160697541	AKMYMAJYQXTMAB-ZETCQYMHSA-N	246.357	1.504	70	20	BDID	
CCN(CC)C(=O)N(C)CC1CCOCC1	161057947	SXTKSSHTAOMOQY-UHFFFAOYSA-N	228.336	1.807	70	20	BDID	
CC[C@@H](CSC)NC(=O)CCC(C)=O	217333592	APJXXKCEPBUKKY-VIFPVBQESA-N	217.334	1.613	70	20	BDID	
CC(C)(C)CCNC(=O)[C@@H]1C[C@H]2C[C@H]2N1	217721387	JHGQRFFADYOONC-BBBLOLIVSA-N	210.321	1.289	70	20	BDID	
Cc1cc(CN2CC[C@H](N)[C@@H](C)C2)on1	218610733	ZPUCNKBFEWTXEU-KWQFWETISA-N	209.293	1.152	70	20	BDID	
OCCNCc1cccc2ncccc12	161132970	VFGCISABQCDCBY-UHFFFAOYSA-N	202.257	1.317	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)C1=COCCC1	160811871	RNCJVQVEBQQNTF-LLVKDONJSA-N	227.304	1.204	70	20	BDID	
C[C@H](N)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1	159713524	KGYYCANFZYVEPO-WCFLWFBJSA-N	232.327	1.786	70	20	BDID	
CO[C@H](C)CCC(=O)Nc1[nH]nc(C)c1C	159653767	PTPGIRFMOLZNQH-SSDOTTSWSA-N	225.292	1.780	70	20	BDID	
C[C@H](NC[C@H](C)N(C)C)c1cscn1	161188201	NVRIQBDPOADROI-IUCAKERBSA-N	213.350	1.744	70	20	BDID	
COc1ccccc1CCNC(=O)C(F)F	217641925	GXLNVEUQQFXZTF-UHFFFAOYSA-N	229.226	1.619	70	20	BDID	
NC(=O)N[C@H]1[C@@H]2c3ccccc3CC[C@H]21	161047188	VHXBEAMQNFAJOU-GMTAPVOTSA-N	202.257	1.383	70	20	BDID	
CCC[C@H]1CN(C(=O)NCCOCC)CCO1	160128146	FKDLZZBZBAWRGE-NSHDSACASA-N	244.335	1.233	70	20	BDID	
CC[C@H](COC)N[C@@H]1CCCNCC1	160683642	WMGFIDACUKEPNE-GHMZBOCLSA-N	200.326	1.143	70	20	BDID	
Oc1cc(F)cc(CN2CCCOCC2)c1	159839358	GPIPOTBIILNYGX-UHFFFAOYSA-N	225.263	1.754	70	20	BDID	
C[C@]1(C(=O)Nc2nncs2)CCCCN1	159546629	VRQYVEOPYIPLFL-SECBINFHSA-N	226.305	1.009	70	20	BDID	
COc1cccc(CNC(=O)C(F)F)c1	217657273	KFLUIKCDGMQARK-UHFFFAOYSA-N	215.199	1.577	70	20	BDID	
CCC1CCN(CCN2CCOCC2)CC1	218637875	BZWHNJOBYCUCKO-UHFFFAOYSA-N	226.364	1.441	70	20	BDID	
CN(C(=O)[C@H]1CCOC1)c1ccc2c(c1)OCO2	160256141	ZRMQZKUNXBSLOT-VIFPVBQESA-N	249.266	1.415	70	20	BDID	
CC(C)c1cc(=O)n(CC(=O)c2ccc[nH]2)cn1	160826304	QFMADUMBXVMHQY-UHFFFAOYSA-N	245.282	1.578	70	20	BDID	
C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1cnn(C)c1	159893680	OMQAJHFZEBQESD-GZMMTYOYSA-N	235.287	1.364	70	20	BDID	
CCOCCCN1CC[C@H](N2CCCC2)C1	160338677	CSWFSTUTJOJDTN-ZDUSSCGKSA-N	226.364	1.583	70	20	BDID	
CC1(NC(=O)C2CC=CC2)CCNCC1	160574449	PBXUDBJSFIHMGT-UHFFFAOYSA-N	208.305	1.211	70	20	BDID	
C[C@@H]1CN(C(=O)c2cccc(F)n2)CCS1	160718467	LRKJVUNQDIDBKF-MRVPVSSYSA-N	240.303	1.798	70	20	BDID	
C[C@@H]1COCCN1Cc1cc(O)cc(F)c1	159819542	VYTCEOIVYBMULQ-SECBINFHSA-N	225.263	1.752	70	20	BDID	
CO[C@H](C)CN(C)C(=O)OC(C)(C)C	217818403	CEVOPYPPTMJZSW-MRVPVSSYSA-N	203.282	1.888	70	20	BDID	
COCCNC(=O)N1CCCC[C@H](SC)C1	161132255	IHQNXLHRXAHYTK-JTQLQIEISA-N	246.376	1.560	70	20	BDID	
COC(C)(C)C[C@@H](C)NC(=O)C[C@H]1CCCN1	160969652	JRAPWXXVZNAIBW-GHMZBOCLSA-N	242.363	1.448	70	20	BDID	
c1cnn([C@H]2CCCN(CCOCC3CC3)C2)c1	160250572	FMJROTMMODNWBG-AWEZNQCLSA-N	249.358	1.947	70	20	BDID	
CC(=O)OCc1ccc(S(=O)(=O)F)cc1	1887579014	HIKBOKUZFZURPP-UHFFFAOYSA-N	232.232	1.408	70	20	BDID	
CC(C)Cn1ncnc1CS(=O)(=O)Cl	114628624	AVJPUNNBJGDFBL-UHFFFAOYSA-N	237.712	1.003	70	20	BDID	
C[C@@]1(O)CCCN(C(=O)N2CCCC2)C1	160860652	FKHBTQHUOBFTBT-LLVKDONJSA-N	212.293	1.049	70	20	BDID	
O=S(=O)(F)CCc1ccccc1F	258139998	QYOSKYVYVRPFCX-UHFFFAOYSA-N	206.213	1.668	70	20	BDID	
CCC[C@H](O)CN[C@@H](C)c1ccncc1	161234008	BIMJMHJOLHXZKY-JQWIXIFHSA-N	208.305	1.893	70	20	BDID	
COCCCC(=O)NCC1(C2CC2)CC1	160193827	YMKRNKJMTHMVJL-UHFFFAOYSA-N	211.305	1.719	70	20	BDID	
CCc1nc(CN(C)[C@@H](C)c2ccccn2)n[nH]1	159616261	RIYYCGPRVPUFOQ-JTQLQIEISA-N	245.330	1.955	70	20	BDID	
COCCS(=O)(=O)N1CC[C@@H](C)C[C@@H](C)C1	159688477	RERFWZXNXNSTGB-GHMZBOCLSA-N	249.376	1.331	70	20	BDID	
CC[C@@H]1CCCN(C(=O)[C@]2(F)CCNC2)CC1	159568845	MWJVSAOLBFKTNM-YPMHNXCESA-N	242.338	1.727	70	20	BDID	
O=C(OCCO[C@H]1CCCCO1)c1ccco1	218160647	WVWGSNOJRUXXAE-NSHDSACASA-N	240.255	1.980	70	20	BDID	
CC[C@@H](NC(=O)[C@H](C)NC(C)=O)c1ccccc1	216664828	HAPIDGHJDJIJKE-GXFFZTMASA-N	248.326	1.779	70	20	BDID	
C[C@H](NCCN1CCCC1)c1cscn1	161141677	HBZNDMVUMZGIAA-JTQLQIEISA-N	225.361	1.890	70	20	BDID	
CC[C@H](CSC)NC(=O)CC(C)(C)N	217332463	XRFYQYLXYRKAEV-MRVPVSSYSA-N	218.366	1.372	70	20	BDID	
Cc1ccc(NC(=O)[C@@H]2CCCCO2)nc1	160091252	HYEDSHDBDVDAGK-JTQLQIEISA-N	220.272	1.898	70	20	BDID	
C[C@@H](C(=O)N1CCC[C@@H]1CN)c1ccsc1	160181247	RRGCHMJYJPMART-MWLCHTKSSA-N	238.356	1.801	70	20	BDID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NCC1CC1	159627705	SZAUOTBSBUQYFQ-LDYMZIIASA-N	209.289	1.518	70	20	BDID	
COCCOCCCCNc1cc(F)ncn1	159846161	VOTUIOQBIJFKQV-UHFFFAOYSA-N	243.282	1.471	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CN(C)CCO1	159663064	LXGQKESIQVKZLN-WOPDTQHZSA-N	240.347	1.012	70	20	BDID	
CCC1(CC)CN(S(=O)(=O)Cl)C1	307339321	WLYRRJNDYIFOHB-UHFFFAOYSA-N	211.714	1.592	70	20	BDID	
O=C(/C=C\c1ccco1)NCc1ncc[nH]1	216999563	BSAQXDXIOJQQSG-ARJAWSKDSA-N	217.228	1.332	70	20	BDID	
C[C@H]1NCCC[C@@H]1NC(=O)c1ccco1	160533765	LACVYFSLRCVWNG-BDAKNGLRSA-N	208.261	1.150	70	20	BDID	
C[C@@H]1CCC[C@@H](C(=O)Nc2nnc[nH]2)C1	161022464	WWMCEJMTHHDUOX-HTQZYQBOSA-N	208.265	1.570	70	20	BDID	
COCCCCN1CC[C@H]([C@H](C)O)C1	159450817	PAZVTEQNCIZHCO-QWRGUYRKSA-N	201.310	1.116	70	20	BDID	
CCCCC(=O)N[C@H](C)Cc1cc(C)[nH]n1	161459090	JFLIPWWYBKWBBU-SECBINFHSA-N	223.320	1.956	70	20	BDID	
C[C@H](NC(=O)c1cncc(O)c1)C1CCC1	160225626	PSPZMYFNWAIQLX-QMMMGPOBSA-N	220.272	1.706	70	20	BDID	
CC(=O)Nc1nc(CS[C@H](C)CO)cs1	160695848	FLRPBVHPIKLHPM-ZCFIWIBFSA-N	246.357	1.716	70	20	BDID	
CSCCCCC(=O)NCCCNC(C)=O	159464494	GIYQORPPWBHTKQ-UHFFFAOYSA-N	246.376	1.162	70	20	BDID	
COC(=O)[C@H]1CCCC[C@H]1S(=O)(=O)F	238854268	NFQHSHVCUVXEIF-NKWVEPMBSA-N	224.253	1.018	70	20	BDID	
COC[C@@H](NCc1cn2ccccc2n1)C1CC1	159442448	KIVWRWREZZHHPK-CYBMUJFWSA-N	245.326	1.849	70	20	BDID	
Cc1cccc(CCS(=O)(=O)Cl)n1	307149070	QSSLZCDVOCVYLL-UHFFFAOYSA-N	219.693	1.501	70	20	BDID	
C[C@@]1(O)CCCN(c2cc(Cl)nc(N)n2)C1	160848409	JNBLKGVLWBMQTF-SNVBAGLBSA-N	242.710	1.063	70	20	BDID	
CCNC(=O)[C@H](C)N[C@H](C)c1cscn1	161142738	USBTUHZXUKOCLG-SFYZADRCSA-N	227.333	1.318	70	20	BDID	
C[C@@H](NCC1(C)COC1)c1cscn1	161197464	BRTWZAPTNFIKFE-MRVPVSSYSA-N	212.318	1.830	70	20	BDID	
CC1(C)CN(CCCN2CCCCC2)CCO1	161217462	PFNHPMTYICNQFV-UHFFFAOYSA-N	240.391	1.973	70	20	BDID	
CCOC[C@H]1CCN(C(=O)CO[C@@H](C)CC)C1	160391145	DWDARWINOVNGAS-RYUDHWBXSA-N	243.347	1.687	70	20	BDID	
Cc1cc(CC(=O)NC2CC=CC2)n[nH]1	160764295	KUUBNMJHXDAQDM-UHFFFAOYSA-N	205.261	1.095	70	20	BDID	
CC(C)OCCN1CC[C@H]([C@@H](C)N)C1	159503093	YHVYZVYHIKVTIX-MNOVXSKESA-N	200.326	1.081	70	20	BDID	
O=C(Cn1ccccc1=O)NCC1(C2CC2)CC1	159756782	BUPVWMMPHBTMNP-UHFFFAOYSA-N	246.310	1.155	70	20	BDID	
C[C@H](O)CC(C)(C)CNC(=O)[C@H]1CCCCO1	159694399	NEEQTTNIHCXGCP-WDEREUQCSA-N	243.347	1.469	70	20	BDID	
Cn1cc(CNC(=O)c2ccc(Cl)o2)cn1	217835420	AUVADVMNPLAPQN-UHFFFAOYSA-N	239.662	1.597	70	20	BDID	
CNCCN(C)C/C=C\c1ccccc1	216702932	UHSJDRMIHODFCV-TWGQIWQCSA-N	204.317	1.851	70	20	BDID	
CCN(C)C(=O)N1CCN(C2CCCC2)CC1	160512745	ADJAMZFRYBCXOU-UHFFFAOYSA-N	239.363	1.618	70	20	BDID	
CN1CCCc2cccc(S(=O)(=O)Cl)c21	97971458	QHWGKHKERYJMSI-UHFFFAOYSA-N	245.731	1.997	70	20	BDID	
Cc1cc(Cl)nc(CS(=O)(=O)Cl)n1	157702322	UWTMRJQKXMIVLG-UHFFFAOYSA-N	241.099	1.507	70	20	BDID	
O=C(NCC1CC1)NOCc1cccnc1	161044674	UMURZTFXVYPNGT-UHFFFAOYSA-N	221.260	1.222	70	20	BDID	
O=S(=O)(CC1CCCC1)C1CCOCC1	160040764	QKZNJBMHRCSKIT-UHFFFAOYSA-N	232.345	1.770	70	20	BDID	
CN[C@@H]1CCN(C(=O)C[C@H](C)CC(C)C)C1	160715252	VAWBWRGAHPSNTB-VXGBXAGGSA-N	226.364	1.879	70	20	BDID	
C[C@@H](N)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C	160903769	ZRXMOHLCBMEDHS-WZRBSPASSA-N	232.327	1.738	70	20	BDID	
Cc1cc(NC(=O)[C@@H]2C[C@H]2C2CC2)c[nH]c1=O	159677603	ZMLSIOFBAYZSHU-WDEREUQCSA-N	232.283	1.668	70	20	BDID	
C[C@H](N)CN[C@@H](C)Cc1ccc(F)cc1	218300027	XIYHAARGCWDGHR-UWVGGRQHSA-N	210.296	1.694	70	20	BDID	
COC(=O)[C@@H]1CCCC[C@H]1S(=O)(=O)F	238854269	NFQHSHVCUVXEIF-RNFRBKRXSA-N	224.253	1.018	70	20	BDID	
COC(=O)[C@H](Cc1ccccc1)[C@H](C)NC(C)=O	217849561	LWUVHQWDGKQXIO-GXFFZTMASA-N	249.310	1.543	70	20	BDID	
NCC[C@@H]1CCN(CC2CCOCC2)C1	160043465	TVVZGPGGHPOVTJ-LLVKDONJSA-N	212.337	1.084	70	20	BDID	
CCCC[C@H](C(=O)OC)N(C)CC(C)(C)O	160813561	MQGWHRCPNXQRIU-SNVBAGLBSA-N	231.336	1.421	70	20	BDID	
CC[C@]1(C)C[C@H]1C(=O)N1CCC[C@@H]1CN	160265898	QCWAWOSRKTWBSO-JFGNBEQYSA-N	210.321	1.372	70	20	BDID	
C[C@@H](N)C(=O)NC[C@H]1CCCO[C@@H]1C(C)(C)C	161176638	LIQDDMOPYPRDTH-MXWKQRLJSA-N	242.363	1.291	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@H]1C[C@]1(C)CC	160810721	HTLRHCBDHOGVHO-CWSCBRNRSA-N	241.331	1.881	70	20	BDID	
C[C@@H](O)CN(C)CCCN1CCCCC1	161241504	BBPSCNFKBMKOJI-GFCCVEGCSA-N	214.353	1.175	70	20	BDID	
O=Cc1ccc(S(=O)(=O)Cl)s1	141975579	FVIKLKURYVPJNH-UHFFFAOYSA-N	210.663	1.488	70	20	BDID	
CC[C@H](N)C(=O)N[C@H](Cc1ccccc1)C1CC1	161259582	KUYBKEFHXLITFN-UONOGXRCSA-N	246.354	1.861	70	20	BDID	
CCOCCC(=O)Nc1c[nH]c(=O)c(C)c1	159365683	KIRLYMNOXDRNKR-UHFFFAOYSA-N	224.260	1.048	70	20	BDID	
CCC[C@@H](O)CNCc1ncc(Cl)n1C	217858730	MIWORGDHMXIXTB-MRVPVSSYSA-N	231.727	1.324	70	20	BDID	
CCC[C@H](C)C(=O)NC[C@](C)(O)CSC	217656513	BPAAQPPIZNLHHL-ONGXEEELSA-N	233.377	1.653	70	20	BDID	
CS[C@H](C)CC(=O)N1CCOCC1(C)C	161014096	ZEIHFLWCYJRLMO-SECBINFHSA-N	231.361	1.765	70	20	BDID	
CCc1c(C(=O)N(C)C2CC2)[nH]c(C)c1C(N)=O	161325612	FZKMTPFZICLSQQ-UHFFFAOYSA-N	249.314	1.219	70	20	BDID	
C[C@H](CC(=O)NC1CCOCC1)c1ccncc1	160155033	PGMARCFWPPRAEL-LLVKDONJSA-N	248.326	1.870	70	20	BDID	
CSc1cc(C(=O)N(C)[C@@H](C)CO)ccn1	160583572	ZNUHOLJLWFAOOY-QMMMGPOBSA-N	240.328	1.256	70	20	BDID	
CCOCCCC(=O)N[C@H](C)CC(=O)OCC	160800285	KZHZAUOTXZRKOE-SNVBAGLBSA-N	245.319	1.261	70	20	BDID	
Cc1nn(C)c(C)c1C(=O)NC1CC=CC1	160830388	KKRIDULTJYBRHT-UHFFFAOYSA-N	219.288	1.485	70	20	BDID	
N[C@H]1CCC[C@H](NC(=O)CCc2ccccn2)C1	160996543	IYWVCNBLGIPULV-AAEUAGOBSA-N	247.342	1.400	70	20	BDID	
CN(C)C(=O)c1c(F)c(F)cc(F)c1F	217677505	FOZUNVYGAAVBBR-UHFFFAOYSA-N	221.153	1.945	70	20	BDID	
CSCCN(C)C(=O)[C@@H](N)CC(C)C	159596353	SJTNZKAOKTZRBR-VIFPVBQESA-N	218.366	1.181	70	20	BDID	
Cc1[nH]ncc1C(=O)N1CC[C@@H](C)[C@@H](C)C1	160866752	ZFEKIUWSMYWHJK-BDAKNGLRSA-N	221.304	1.836	70	20	BDID	
C[C@@H]1Cc2ccc(F)cc2[C@H]1NCCO	159725333	LEKXNXLUIRXSOG-PELKAZGASA-N	209.264	1.641	70	20	BDID	
CCCCNC(=O)N1CC[C@@H](CCN)C1	160009437	XGKYBSZIECAHCO-SNVBAGLBSA-N	213.325	1.167	70	20	BDID	
Cc1ccc(C(=O)NC(C)(C)CCO)o1	160778761	HBKCVNUAIGHBGI-UHFFFAOYSA-N	211.261	1.479	70	20	BDID	
C[C@@H](NC[C@@H](C)N(C)C)c1cscn1	161188485	NVRIQBDPOADROI-RKDXNWHRSA-N	213.350	1.744	70	20	BDID	
CC[C@]1(C)CCCN(C(=O)[C@@H]2CSCN2)C1	160775358	SZHYYWMDDLPJAS-CMPLNLGQSA-N	242.388	1.688	70	20	BDID	
C[C@@H]1CCN(C(=O)[C@@]2(C)CCCCN2)C1	159574719	MKNRXMQKQRSVJC-ZYHUDNBSSA-N	210.321	1.387	70	20	BDID	
CCc1nsc(N(CC)CCCO)n1	161420794	KXJHLSDXLFUUKP-UHFFFAOYSA-N	215.322	1.309	70	20	BDID	
COC[C@@H](C)N[C@@H](CC(N)=O)C1CCCCC1	159751169	CKLPIJBFKONMDR-PWSUYJOCSA-N	242.363	1.435	70	20	BDID	
CNC[C@@H](C)C(=O)Nc1ccc(OC)c(N)c1	161245742	YQTKOZYSEPXPFG-MRVPVSSYSA-N	237.303	1.071	70	20	BDID	
C[C@H](NC(=O)NC1(C)CCC1)c1cnn(C)c1	161487765	YGSUARWMICEGID-VIFPVBQESA-N	236.319	1.723	70	20	BDID	
CC[C@H](O)CCNC(=O)N[C@H](C)C(C)C	160677249	JDINWQLYKDRJDA-ZJUUUORDSA-N	216.325	1.491	70	20	BDID	
C[C@H](CO)Sc1nccc(C(F)(F)F)n1	160684045	MYQISAKJUGYZNG-RXMQYKEDSA-N	238.234	1.968	70	20	BDID	
Cc1ncoc1C(=O)Nc1cccc(O)c1	159474335	NFHLOUZDSOIIMV-UHFFFAOYSA-N	218.212	1.941	70	20	BDID	
CCN(CCCO)C(=O)CSC(C)C	160308118	OXPOCTFWKVCQOF-UHFFFAOYSA-N	219.350	1.359	70	20	BDID	
C[C@H](NCCC(=O)N(C)C)c1cscn1	161180736	KOWMPEZFSDGJTJ-QMMMGPOBSA-N	227.333	1.272	70	20	BDID	
C[C@@H](c1nc(C(C)(C)C)no1)N(C)C[C@@H](C)O	159430754	KFPQWMBJPZRGSM-BDAKNGLRSA-N	241.335	1.741	70	20	BDID	
CCc1nc(CN2CCC[C@@H]2C[C@@H](C)O)n[nH]1	159481531	NYSVRZQWRIDSPZ-NXEZZACHSA-N	238.335	1.102	70	20	BDID	
O=S(=O)(Cl)c1ccc(C(F)F)cn1	238701728	YDLFSTCRDPVJEM-UHFFFAOYSA-N	227.619	1.947	70	20	BDID	
COCC(=O)Nc1[nH]nc(-c2ccc(C)o2)c1C	161500728	FXJSYFVLPNQCSW-UHFFFAOYSA-N	249.270	1.871	70	20	BDID	
CCCn1c(C)nnc1CN1CCC[C@@H]1C	160098952	PTOZNZHDEGNIPK-JTQLQIEISA-N	222.336	1.981	70	20	BDID	
O[C@@H]1CCCN(CCCN2CCCCC2)C1	161252131	MOSNUUJYNBSDMI-CYBMUJFWSA-N	226.364	1.319	70	20	BDID	
O=C(/C=C\c1ccccc1)NC[C@@H]1CCCNC1	217463971	VZJTUUWOCPPTBM-QIAWRQBBSA-N	244.338	1.816	70	20	BDID	
O=C(NCCCO)NCCc1ccc(F)cc1	217526014	OLUJSSBQSHJNQC-UHFFFAOYSA-N	240.278	1.050	70	20	BDID	
COc1cc(C)nc(NCc2ccccn2)n1	161090243	JOCNDYOGILMOBS-UHFFFAOYSA-N	230.271	1.801	70	20	BDID	
Cc1ccc(/C=C/C(=O)NCC(C)(C)N)o1	160010382	PYVHVQNMZAWTLI-VOTSOKGWSA-N	222.288	1.455	70	20	BDID	
CN[C@H]1CCN(C(=O)C[C@H](C)c2ccncc2)C1	160772653	IDEIJJSBAWVCJY-AAEUAGOBSA-N	247.342	1.396	70	20	BDID	
CC(C)(C)C1=CCN(C(=O)c2c[nH]nn2)CC1	160961603	DUWULQDKSZBQSE-UHFFFAOYSA-N	234.303	1.623	70	20	BDID	
O=S(=O)(F)Oc1cccc(-c2cc[nH]n2)c1	1887577540	GXPRLLSGNPBAEN-UHFFFAOYSA-N	242.231	1.670	70	20	BDID	
Cc1cc(C)nc(N[C@@]2(C)CCOC2)n1	160439161	XAKZEAOAQPOYHT-NSHDSACASA-N	207.277	1.684	70	20	BDID	
Cn1cc(Cn2cnc3c2CCCC3)cn1	160728019	CWGPIAGUKAQKCN-UHFFFAOYSA-N	216.288	1.544	70	20	BDID	
CCCCOCC(=O)N1CCC[C@H]1CNC	161218925	FHTZRVALLQPZIY-NSHDSACASA-N	228.336	1.014	70	20	BDID	
C[C@H](NC[C@H]1CCCC[C@@H]1O)C1CCOCC1	160653616	IAUSRMZYUYHBRS-YUTCNCBUSA-N	241.375	1.942	70	20	BDID	
O=C(NCCc1cccc(F)c1)C(F)F	218693792	WNZRCXFKYDUFSX-UHFFFAOYSA-N	217.190	1.750	70	20	BDID	
Cn1c(C(=O)NC[C@@H]2CC=CCC2)cccc1=O	161277550	UFYYUMLYHWYUAV-LLVKDONJSA-N	246.310	1.471	70	20	BDID	
CN(Cc1cccn1C)C(=O)c1cnns1	160791870	KRJMZDNVTMQDEX-UHFFFAOYSA-N	236.300	1.149	70	20	BDID	
COc1cccc(C(=O)N[C@@H]2CCC[C@H](N)C2)c1	161181670	AOMYLRCZXJNDJU-NWDGAFQWSA-N	248.326	1.695	70	20	BDID	
C[C@@H](CS(=O)(=O)Cl)[C@@H]1CCCCO1	216249969	JGVLYAKAFMZVII-YUMQZZPRSA-N	226.725	1.760	70	20	BDID	
CN(C)C1(CNC(=O)C(F)F)CCCCC1	217597611	XODNUIRAPVRQDX-UHFFFAOYSA-N	234.290	1.632	70	20	BDID	
CC[C@@H](COC)N[C@H](CCO)CSC	160387810	DDNHCAIRUGKFCB-VHSXEESVSA-N	221.366	1.115	70	20	BDID	
Cc1cc(CS(=O)(=O)Cl)c(C)nn1	132695347	XDLWVTDJFZSSGC-UHFFFAOYSA-N	220.681	1.162	70	20	BDID	
CNCCNCC(C)(C)c1ccccc1	161273712	RRJMWPNVSVSEMP-UHFFFAOYSA-N	206.333	1.773	70	20	BDID	
CC[C@@H](N[C@H]1CCc2nc(C)nn2C1)C1CC1	160542907	IRDMABGGDRSOGE-NWDGAFQWSA-N	234.347	1.680	70	20	BDID	
CNC[C@@H](C)C(=O)NCCc1cc(C)cc(C)c1	160590858	IZAAUOAPCBHRIP-CYBMUJFWSA-N	248.370	1.818	70	20	BDID	
C[C@H](CC(=O)N1CCC[C@@H](O)C1)c1ccncc1	159822528	SJBPVVVDSOGBMK-DGCLKSJQSA-N	248.326	1.559	70	20	BDID	
CCCC[C@H](COC)NC(=O)[C@@H](N)C(C)(C)C	159651847	AMLWRBPQYQFJLE-GHMZBOCLSA-N	244.379	1.681	70	20	BDID	
Cc1csc(NC(=O)[C@@H]2CCCCO2)n1	159474285	ZCDCOROVJDSLRA-QMMMGPOBSA-N	226.301	1.959	70	20	BDID	
Cc1cc(C)c(C(=O)NCC(C)(C)N)[nH]1	160055148	KMASWKUQEKUEHB-UHFFFAOYSA-N	209.293	1.099	70	20	BDID	
O=S(=O)(F)Oc1ccc2ncccc2c1	2088600208	IRIYBTJUCKIWML-UHFFFAOYSA-N	227.216	1.828	70	20	BDID	
COc1ccccc1CS(=O)(=O)Cl	60288384	IQVPLMJKHBQGMU-UHFFFAOYSA-N	220.677	1.764	70	20	BDID	
C[C@H]1CCN(C(=O)[C@@]2(C)CCCCN2)C1	159574830	MKNRXMQKQRSVJC-CMPLNLGQSA-N	210.321	1.387	70	20	BDID	
CCN(C)C(=O)N1CC[C@H]2[C@@H](CCCN2C)C1	160706192	CVSVATVNUUGVER-RYUDHWBXSA-N	239.363	1.474	70	20	BDID	
O=S(=O)(Cl)c1c(O)cccc1F	104538205	OBMNNKDIIDWGGW-UHFFFAOYSA-N	210.613	1.459	70	20	BDID	
CN(C)CC(C)(C)CNC(=O)[C@@H]1CCCCO1	161087021	HRTUCJJWIVHAJR-NSHDSACASA-N	242.363	1.260	70	20	BDID	
COc1cccc2c1CC[C@H]2NC(N)=O	160275450	RPKLXJMDXLTOTQ-SECBINFHSA-N	206.245	1.351	70	20	BDID	
CCCN1CCCN(C(=O)[C@H]2CCCO2)CC1	160387934	DGRYLLYOQKSFGW-GFCCVEGCSA-N	240.347	1.110	70	20	BDID	
CC[C@H](N)C(=O)N(CC)c1nc(C)cs1	161354170	WYOXGIHTQMOVPW-QMMMGPOBSA-N	227.333	1.542	70	20	BDID	
CCc1ncnc(NC[C@H](C)N(C)C)c1F	217968057	WTNHHVGFEKOUFV-QMMMGPOBSA-N	226.299	1.540	70	20	BDID	
CC1(C(=O)N[C@@H]2CCCCNC2=O)CCCC1	217839481	ZFSNUKYXBZUSDC-SNVBAGLBSA-N	238.331	1.352	70	20	BDID	
Cn1cnc(CNc2ncnc3ccccc23)n1	218755740	SUHYAWWDEZTSHR-UHFFFAOYSA-N	240.270	1.370	70	20	BDID	
CNC[C@@H]1CCCN1C(=O)[C@H](C)CSC	161203182	QQBCHLRVEKWYIP-ZJUUUORDSA-N	230.377	1.196	70	20	BDID	
CNCCNCc1ccc(C)c(OC)c1	161235221	PDUNFOVIOBDUNH-UHFFFAOYSA-N	208.305	1.313	70	20	BDID	
C[C@@H]1CN(Cc2cnc(N)s2)CCS1	161282224	RLYJTKHAXLUECW-SSDOTTSWSA-N	229.374	1.663	70	20	BDID	
Cc1ccc(CN2CCC[C@@H]2C(N)=O)c(C)c1	160338734	CVEWIYUZEACIDW-CYBMUJFWSA-N	232.327	1.753	70	20	BDID	
CCc1ccccc1C(=O)NCCNC(C)=O	160578176	YNIMBNFUIYVMNQ-UHFFFAOYSA-N	234.299	1.115	70	20	BDID	
N[C@H]1CCC[C@H](NC(=O)CCc2ccncc2)C1	161220473	MRIQWEXYZHYOPP-STQMWFEESA-N	247.342	1.400	70	20	BDID	
CC(C)N1CCC[C@H](c2nnc3n2CCC3)C1	161404099	DACSXFIENSLDQS-NSHDSACASA-N	234.347	1.812	70	20	BDID	
C[C@@H](COC1CCC1)CS(=O)(=O)Cl	112159773	HSOOPPMADFOFPX-ZETCQYMHSA-N	226.725	1.760	70	20	BDID	
CCCC(CCC)N[C@H](C)CC(N)=O	160675828	PCRRCRRCERHPRY-SECBINFHSA-N	200.326	1.809	70	20	BDID	
CC(C)c1nn(C)cc1CS(=O)(=O)Cl	88251103	SOHLFQUIXZTXKW-UHFFFAOYSA-N	236.724	1.612	70	20	BDID	
CC(C)c1cc(CNC(=O)CCCN)on1	160150356	VMEVYMJHLCEFQW-UHFFFAOYSA-N	225.292	1.153	70	20	BDID	
O=S(=O)(Nc1cccc(Cl)c1O)C1CC1	160391974	DDRZDHMZLCCHIT-UHFFFAOYSA-N	247.703	1.950	70	20	BDID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NCCc1ccco1	160558177	JHQNPIRBDQIWHE-GWCFXTLKSA-N	249.310	1.944	70	20	BDID	
CCN(CCOC)Cc1cc(O)cc(F)c1	159829905	JQRDKYCOICPZNH-UHFFFAOYSA-N	227.279	2.000	70	20	BDID	
CC(C)N[C@@H](CC(N)=O)C1CCCCC1	159753783	NCWCNOCPINTXQI-NSHDSACASA-N	212.337	1.809	70	20	BDID	
C[C@H]1CC[C@@H](C)CN1S(=O)(=O)Cl	114641575	SYJDOIGIKCDIEF-RQJHMYQMSA-N	211.714	1.590	70	20	BDID	
CCN1CCN(Cc2nccn2CC)CC1	160669603	ANVDATNBIIYBEY-UHFFFAOYSA-N	222.336	1.041	70	20	BDID	
CCNC(=O)C(C)(C)CNc1ccccn1	161335639	ZLVJYXJZXAUTPL-UHFFFAOYSA-N	221.304	1.656	70	20	BDID	
C[C@H](N)C(=O)NCCCCC1CCCC1	160899993	FVLNHNZZGPDYIC-JTQLQIEISA-N	212.337	1.810	70	20	BDID	
O=C1CN(C(=O)C(F)F)c2ccccc2N1	217654694	UNHHHZRDVRPFCY-UHFFFAOYSA-N	226.182	1.237	70	20	BDID	
N#Cc1ncccc1CS(=O)(=O)Cl	203189701	BYJNWNDKVNRABE-UHFFFAOYSA-N	216.649	1.022	70	20	BDID	
c1ccc(-c2nnn(Cc3nccs3)n2)cc1	161199837	HBAWYUJUJVFPCF-UHFFFAOYSA-N	243.295	1.845	70	20	BDID	
CC(C)[C@@H](O)CCNC(=O)C1(N)CCCCC1	160899069	AEUNTNLIJQBHHJ-NSHDSACASA-N	242.363	1.171	70	20	BDID	
CCC[C@]1(C)CCCN(C(=O)[C@H](C)N)C1	160932093	ATGCALRTGNOEKZ-CMPLNLGQSA-N	212.337	1.762	70	20	BDID	
Cc1ccc(NC(=O)c2ccc(=O)[nH]n2)c(F)c1	217417142	AQEOYXRHYAHLHT-UHFFFAOYSA-N	247.229	1.470	70	20	BDID	
Cc1cnc(N[C@@H](C)[C@@H]2CCOC2)nc1	160430852	VHFUHQREOIQUKX-VHSXEESVSA-N	207.277	1.622	70	20	BDID	
CC(C)[C@H](O)CN[C@@H](C)c1ccccn1	160891960	XSSZXSAIMVQCNM-CMPLNLGQSA-N	208.305	1.749	70	20	BDID	
C[C@@]1(O)CCCN(C(=O)c2ccc[nH]2)C1	161033927	BJGNPHJLDUWEIH-LLVKDONJSA-N	208.261	1.002	70	20	BDID	
Cc1nn(CCS(=O)(=O)F)c(C)c1C	883953193	LJOPOLDXPFSOFY-UHFFFAOYSA-N	220.269	1.108	70	20	BDID	
O=S1(=O)CCN(CCC2CCCC2)CC1	160401915	ATYBZRGPIDQIQC-UHFFFAOYSA-N	231.361	1.297	70	20	BDID	
Cc1noc(C)c1CS[C@H](C)CO	160741068	FHMNPMJNMUTKGL-ZCFIWIBFSA-N	201.291	1.905	70	20	BDID	
CC(C)C(=O)NS(=O)(=O)c1ccsc1	159482331	QNJXBJUEXFMABH-UHFFFAOYSA-N	233.314	1.209	70	20	BDID	
Cn1ccnc1CN1CCOC(C)(C)C1	160783640	HYYYARMHRPRXQS-UHFFFAOYSA-N	209.293	1.031	70	20	BDID	
CC(C)(CCO)NC(=O)c1cscn1	160780654	WUMPTFALYPALPI-UHFFFAOYSA-N	214.290	1.034	70	20	BDID	
C[C@H](CC(N)=O)N[C@@H]1CCCC(C)(C)C1	160803466	LTDJFKWZBLDNAB-NXEZZACHSA-N	212.337	1.809	70	20	BDID	
CC[C@@H](CSC)N[C@@H]1CCCNC(=O)C1	217329516	MRWXWFZHCXYIDD-VHSXEESVSA-N	230.377	1.386	70	20	BDID	
O=C([C@H]1CCOC1)N1CCc2c(F)cccc2C1	161028915	YNJBMKWEPMKVKH-NSHDSACASA-N	249.285	1.747	70	20	BDID	
CCCCO[C@@H](C)C(=O)N(C)[C@H](C)CO	160505409	BSWJVJXRDSOTOA-ZJUUUORDSA-N	217.309	1.031	70	20	BDID	
C[C@@H](C(=O)NCc1ncc[nH]1)c1cccs1	159864476	UZEZZQVAUJNBBH-MRVPVSSYSA-N	235.312	1.891	70	20	BDID	
COc1cccnc1N[C@@H](C)CCCO	159483779	DSUNDOGUJVSQIF-VIFPVBQESA-N	210.277	1.663	70	20	BDID	
CCSc1nnc(-c2ccccn2)n1C	159535855	VSTHMMYZVSVNGY-UHFFFAOYSA-N	220.301	1.989	70	20	BDID	
O=C(N[C@@H]1CCOC1)N1CCC[C@@H]2CCC[C@@H]21	159382716	OLJMIVFMJTYVOB-TUAOUCFPSA-N	238.331	1.749	70	20	BDID	
OC[C@H]1CCCCN1C[C@H]1CCCCO1	159799685	DKMGLBVUMABWGM-VXGBXAGGSA-N	213.321	1.402	70	20	BDID	
COC(=O)CCCN(C)C[C@@H]1CCC[C@@H]1O	159500132	IWYLRQQWBHBXRF-QWRGUYRKSA-N	229.320	1.032	70	20	BDID	
COC(CN1CCC[C@H]1C1CCC1)OC	160887078	HCKQUJAAKKUSIR-NSHDSACASA-N	213.321	1.870	70	20	BDID	
CC[C@H](COC)N[C@@H]1C[C@H](O)C1(C)C	159560224	MPLZLWLRZHCZQN-BBBLOLIVSA-N	201.310	1.160	70	20	BDID	
CCNC(=S)N(C)[C@@H]1CCSC1	160046850	LGUZVTATDZIWPU-SSDOTTSWSA-N	204.364	1.318	70	20	BDID	
CCCN(CC(=O)OC)C[C@H]1CCC(C)(C)O1	160825044	UTWQRQJCHYZZQD-LLVKDONJSA-N	243.347	1.829	70	20	BDID	
C[C@@H](CCO)CN[C@@H](C)c1cscn1	161214764	YZUFXVHGALCPAY-IUCAKERBSA-N	214.334	1.812	70	20	BDID	
c1ccc(-c2noc([C@H]3CCN3)n2)cc1	218125394	GEBSMTSOESNJCH-SECBINFHSA-N	201.229	1.771	70	20	BDID	
Cc1cc(C(=O)NCc2cccs2)ncn1	161209410	LBYFTZGVZQGCHE-UHFFFAOYSA-N	233.296	1.777	70	20	BDID	
CCC[C@@H](C(=O)NC1(C(N)=O)CC1)C(C)C	160913010	QXKODNPNJQJDCZ-SECBINFHSA-N	226.320	1.193	70	20	BDID	
COC(C)(C)C[C@H](C)NC(=O)C[C@H]1CCCN1	160969523	JRAPWXXVZNAIBW-WDEREUQCSA-N	242.363	1.448	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)c1cnsn1	159599015	OEOQWNKWPZFZIN-JGVFFNPUSA-N	225.317	1.847	70	20	BDID	
O=C(NCCn1cccn1)NCC1(C2CC2)CC1	159693515	KHJFRBYXFSKYTB-UHFFFAOYSA-N	248.330	1.373	70	20	BDID	
c1ncn(Cc2noc(C3CCCCC3)n2)n1	160864263	IDPVRUIHPXSNOQ-UHFFFAOYSA-N	233.275	1.757	70	20	BDID	
C[C@H]1CCN(C(=O)[C@]2(C)CCCCN2)C1	159574607	MKNRXMQKQRSVJC-JQWIXIFHSA-N	210.321	1.387	70	20	BDID	
CC(C)C(=O)NCCCN[C@@H](C)c1ccncc1	159993212	XNWZRXJSULTVBX-LBPRGKRZSA-N	249.358	1.895	70	20	BDID	
CCCC[C@H](C(=O)OC)N(CC)CCOC	161012518	PFLJAVBUTLOUKI-LLVKDONJSA-N	231.336	1.687	70	20	BDID	
O=C(NC1CC1)c1ccc(C(F)(F)F)cn1	161095933	OTYVUKLPRFKLRG-UHFFFAOYSA-N	230.189	1.993	70	20	BDID	
CN(Cc1ccco1)C(=O)N[C@H]1CCOC1	159451984	CDLGQYMCOOQGNX-VIFPVBQESA-N	224.260	1.210	70	20	BDID	
NCCNCCc1ccc(F)cc1F	161180778	FHACICUOVYHDIW-UHFFFAOYSA-N	200.232	1.056	70	20	BDID	
CCC(CC)c1cc(C(=O)NCCCN)on1	160020562	BBEGUBRRWCQRER-UHFFFAOYSA-N	239.319	1.657	70	20	BDID	
CC(C)(CN)C(=O)NC[C@@]1(C)CCCC[C@@H]1O	160840951	QFLOTMGHOCXVIK-GXFFZTMASA-N	242.363	1.029	70	20	BDID	
COCCC1(CNC(=O)N(C)C2CC2)CC1	160992909	GHRYNOIPMQSFIY-UHFFFAOYSA-N	226.320	1.607	70	20	BDID	
CN(CCCN1CCCCC1)[C@H]1CCOC1	161006676	SQVZVGOUNRFXJX-ZDUSSCGKSA-N	226.364	1.583	70	20	BDID	
CCCN1CCN(c2cc(C)ccn2)CC1	161298186	KUQAYXRUHSBOHV-UHFFFAOYSA-N	219.332	1.922	70	20	BDID	
CC[C@H](O)CCNC(=O)C(F)(F)C(F)F	218091988	SMVCSEFGSSMXLJ-YFKPBYRVSA-N	231.189	1.164	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)CSC	160107552	FEISAMNLCHLSIA-DTWKUNHWSA-N	247.360	1.443	70	20	BDID	
NC[C@@H]1CCC[C@@H]1NCc1ccc(Cl)nc1	216715218	GUHNBXGHKHHQCL-QWRGUYRKSA-N	239.750	1.952	70	20	BDID	
O=S(=O)(Cl)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1F	1537958803	MHDNKSNPTJQBNA-AXMZGBSTSA-N	212.673	1.692	70	20	BDID	
N[C@H]1CCC[C@H](NC(=O)c2cccs2)C1	160972975	VHNNWQVSADQKBV-IUCAKERBSA-N	224.329	1.748	70	20	BDID	
Cc1ncsc1C(=O)Nc1c[nH]c(=O)c(C)c1	159751902	DZWFLWHNNFEJQX-UHFFFAOYSA-N	249.295	1.701	70	20	BDID	
CC[C@]1(C)C[C@@H]1C(=O)N1CCC[C@@H]1CNC	161264345	ARSFSPIHBGCNMZ-NQBHXWOUSA-N	224.348	1.633	70	20	BDID	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)[C@@H](C)N	160890652	VMCVLWFZNCLSNO-GMTAPVOTSA-N	220.316	1.642	70	20	BDID	
CCCNC(=O)CN(C)OCc1ccccc1	159641998	BZEALDMUVKBNME-UHFFFAOYSA-N	236.315	1.576	70	20	BDID	
Cn1cc(S(=O)(=O)F)c(-c2ccccc2)n1	1775997187	XPNMXUIDSCISML-UHFFFAOYSA-N	240.259	1.745	70	20	BDID	
CCCC[C@@H](NC(=O)[C@@H](C)N)C1CCC1	160779779	IOJVKPROGWYVQB-MWLCHTKSSA-N	212.337	1.809	70	20	BDID	
CCN(CCO)CCCN1CCCCC1	160902193	GOJOYAQDSIQHOG-UHFFFAOYSA-N	214.353	1.177	70	20	BDID	
O=C(/C=C\c1ccco1)NC[C@H]1CCCNC1	217463873	PDSUCIHTGRHBIW-GZTOBOFZSA-N	234.299	1.409	70	20	BDID	
CNCCNC1C2CC3CC(C2)CC1C3	216840601	DBTNTBBMILEHLQ-UHFFFAOYSA-N	208.349	1.620	70	20	BDID	
CCC(CC)(CN)C(=O)N[C@@H](C)CSC	159486119	SCPFCEFJBPIVBL-VIFPVBQESA-N	232.393	1.619	70	20	BDID	
COC(=O)[C@@H](C1CC1)N(C)CCSC	160112894	XGUBPSURYPFVMR-SECBINFHSA-N	217.334	1.233	70	20	BDID	
CC[C@H](CCO)Nc1nccnc1Cl	218140383	YWVNBOQGPQSWGT-SSDOTTSWSA-N	215.684	1.703	70	20	BDID	
CN(C(=O)c1cccc2c1oc(=O)n2C)C1CC1	161240311	RPAWFPGTUXLAPA-UHFFFAOYSA-N	246.266	1.366	70	20	BDID	
CC(C)CCO[C@H](C)C(=O)N1CCC[C@@H]1CN	160286943	TVTMPXATASZSOW-VXGBXAGGSA-N	242.363	1.387	70	20	BDID	
COCCCCNC(=O)N1CCC2(CCC2)C1	160376991	PTPNHHPMTIEBEE-UHFFFAOYSA-N	240.347	1.999	70	20	BDID	
CCNC(=O)CN(CC)C(=O)C[C@@H](C)SC	160611495	KHMXWEOYJWSIFT-SECBINFHSA-N	246.376	1.113	70	20	BDID	
CCCCCC(=O)N[C@@H]1CCN(C(C)=O)C1	159459263	PKQZZUKULMJWFU-LLVKDONJSA-N	226.320	1.304	70	20	BDID	
COCC(=O)N(C)c1ccc(OC)c(Cl)c1	159869078	LYMLZNPLRAOSAZ-UHFFFAOYSA-N	243.690	1.958	70	20	BDID	
CC[C@](C)(O)CNc1ncccc1OC	159597396	SLIMFVNAEQFNJG-NSHDSACASA-N	210.277	1.663	70	20	BDID	
O=C(/C=C\c1cccnc1)NCc1ncc[nH]1	216999876	HVVGXFAYMZIBQF-ARJAWSKDSA-N	228.255	1.134	70	20	BDID	
Cc1ccc(C(=O)O)c(S(=O)(=O)Cl)c1	100410086	FBFNWNSDJFRTHI-UHFFFAOYSA-N	234.660	1.621	70	20	BDID	
O=S(=O)(Cl)c1cccc(O)c1F	104536812	QNKPYPBJVUBWER-UHFFFAOYSA-N	210.613	1.459	70	20	BDID	
CCc1cc(NC(=O)NC2CC=CC2)n(C)n1	160740809	AWRIOMIWCOVHPS-UHFFFAOYSA-N	234.303	1.823	70	20	BDID	
Cc1noc(C)c1CS[C@@H](C)CO	160740957	FHMNPMJNMUTKGL-LURJTMIESA-N	201.291	1.905	70	20	BDID	
CCNC(=S)N1CC[C@H](C)[C@@H](C)C1	160869757	PFLRNMVDZHXUQA-IUCAKERBSA-N	200.351	1.859	70	20	BDID	
CC(C)c1nn(C)c(Cl)c1C(=O)N(C)C	159816048	UTSGBPMJHGHLJQ-UHFFFAOYSA-N	229.711	1.899	70	20	BDID	
CCOCCNCc1cc(O)cc(F)c1	159592058	XALAQPQKOQCUFA-UHFFFAOYSA-N	213.252	1.657	70	20	BDID	
CC1CCN(C(=O)N2CCOCC2(C)C)CC1	160393683	YXLYOKMMBWPIPI-UHFFFAOYSA-N	240.347	1.949	70	20	BDID	
N#C[C@H](CS(=O)(=O)Cl)C(F)(F)F	300027639	CSDCUBORVXPCRO-GSVOUGTGSA-N	221.587	1.257	70	20	BDID	
COc1cccnc1N[C@H](C)CCN(C)C	160220638	ZWJWMQFVVQVSHF-SNVBAGLBSA-N	223.320	1.842	70	20	BDID	
Cc1cc(N[C@@H](C)CN2CCOCC2)ccn1	160917587	RVTOYDCPHVWIPZ-LBPRGKRZSA-N	235.331	1.523	70	20	BDID	
CSCC[C@@H](C)N(C)C(=O)N[C@@H]1CCOC1	159563906	VNRFKNLIJAVETE-NXEZZACHSA-N	246.376	1.558	70	20	BDID	
CC[C@H](NCCC(C)(C)O)[C@H]1CCCO1	159757324	YCUUVMVEAXARRR-WDEREUQCSA-N	215.337	1.695	70	20	BDID	
CC(C)C[C@H]1CCCN1C(=O)N1CCOCC1	217782694	VFZFKWSHYMHVDI-GFCCVEGCSA-N	240.347	1.949	70	20	BDID	
CS[C@H](C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1	161506912	AYPZCOHXJQPJDF-VXNVDRBHSA-N	241.360	1.517	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)CSC	160107688	FEISAMNLCHLSIA-IUCAKERBSA-N	247.360	1.443	70	20	BDID	
CCC[C@H](C)CC(=O)NC[C@@H](C)CCO	160923184	KCIQQJAUJQOGCF-QWRGUYRKSA-N	215.337	1.947	70	20	BDID	
Cc1nc(O)ccc1C(=O)N(C)[C@@H](C)C1CC1	159808073	ZQOSVCDIHJWYHI-VIFPVBQESA-N	234.299	1.966	70	20	BDID	
CC(C)C[C@@H]1CCN(C(=O)[C@H]2CSCN2)C1	159609990	KILCMSUZEPJBHF-WDEREUQCSA-N	242.388	1.544	70	20	BDID	
CC(=O)N(C)[C@H](CO)Cc1ccccc1	216910881	RSBWONWBJAUPFU-LBPRGKRZSA-N	207.273	1.068	70	20	BDID	
CSCCNC(=O)N(C)C[C@H]1CCC[C@H]1O	160483136	YUQIRJFFQWKYMA-NXEZZACHSA-N	246.376	1.152	70	20	BDID	
COC1(CNC(=O)NCC(C)C)CCOCC1	160943943	GQYQREUQBCGCPZ-UHFFFAOYSA-N	244.335	1.137	70	20	BDID	
CC[C@@H](CCO)N[C@@H]1CCOC(C)(C)C1	217708510	RWHHYXFSSYLEGF-WDEREUQCSA-N	215.337	1.695	70	20	BDID	
COc1cc(C)cc(C)c1S(=O)(=O)F	105871782	MWTZNACWPSUGLG-UHFFFAOYSA-N	218.249	1.970	70	20	BDID	
C[C@@H](CS(=O)(=O)Cl)c1ccccn1	106789261	WDJVCNLAQYVCFV-ZETCQYMHSA-N	219.693	1.754	70	20	BDID	
O=S(=O)(Cl)[C@H]1CCc2cccnc21	118897725	BJULNQFMMDQYDY-ZETCQYMHSA-N	217.677	1.638	70	20	BDID	
NCCCNC(=O)c1csc(C2CC2)n1	160034957	TVVMPTUEHXUYRO-UHFFFAOYSA-N	225.317	1.099	70	20	BDID	
CCC[C@@H]1CN(C(=O)NCCOCC)CCO1	160128065	FKDLZZBZBAWRGE-LLVKDONJSA-N	244.335	1.233	70	20	BDID	
COCC(C)(C)C(=O)Nc1nccs1	160661468	VUTHXJREGIEBEL-UHFFFAOYSA-N	214.290	1.754	70	20	BDID	
CCCC[C@H](COC)NC(=O)CCCN	161167751	FSBOPXGACJTCBG-SNVBAGLBSA-N	216.325	1.047	70	20	BDID	
C[C@@H](CCO)CNC(=O)/C=C\c1cccnc1	218011177	CQJDDNRZKBCCBH-WYGGZMRJSA-N	234.299	1.230	70	20	BDID	
CCC1(CNC(=O)[C@@H](N)CCSC)CC1	159632371	WFIJWAJEXSVWTG-VIFPVBQESA-N	230.377	1.373	70	20	BDID	
CCC1(CNC(=O)[C@H]2CCCCN2)CC1	159632218	QQHZLEVRTLNLLJ-SNVBAGLBSA-N	210.321	1.435	70	20	BDID	
Cc1cc(CN2CCC[C@@](C)(O)C2)on1	160997918	DUEBZNRPVGHRAV-LLVKDONJSA-N	210.277	1.330	70	20	BDID	
CCCNC(=O)[C@@H](C)N(CC)Cc1ccccn1	161054982	CMBNCZMHATUUQE-GFCCVEGCSA-N	249.358	1.818	70	20	BDID	
CCCN(CC(=O)NC)C(=O)[C@@H]1CC1(C)C	160296881	HEOLLJYXSYQMBM-VIFPVBQESA-N	226.320	1.017	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1ccco1	160813034	IUGZOSZRFMEGMJ-QMMMGPOBSA-N	225.244	1.351	70	20	BDID	
CC1(C)CCC[C@@H]1NC(=O)N[C@@H]1CCOC1	159419577	KHNJQCIMCGEMFJ-ZJUUUORDSA-N	226.320	1.653	70	20	BDID	
NC[C@@H]1CCCCN1C(=O)/C=C\c1ccco1	217595498	GQXDIOMUSVRORS-ZADCQDASSA-N	234.299	1.633	70	20	BDID	
CCC[C@H](O)CNCC1(O)CCCC1	217863959	MWJXKEYMVVETSA-JTQLQIEISA-N	201.310	1.042	70	20	BDID	
Cc1n[nH]c(C)c1NC(=O)c1ccn(C)n1	218029506	DMASORFUSKADHN-UHFFFAOYSA-N	219.248	1.012	70	20	BDID	
CC(C)(C)[C@H]1CCN(S(=O)(=O)Cl)C1	166028249	DWTSENVJWWRBCF-ZETCQYMHSA-N	225.741	1.838	70	20	BDID	
CCN1CC[C@@H](NC2CCN(C)CC2)[C@H](C)C1	161450268	HGFZWJYZCSMVLW-TZMCWYRMSA-N	239.407	1.401	70	20	BDID	
COC1CCN(C(=O)N2CCC[C@H](C)C2)CC1	160354367	KANJWUJGAGFZBN-NSHDSACASA-N	240.347	1.949	70	20	BDID	
CNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	159821083	SKZVJEOPOVTIIU-SFYZADRCSA-N	211.211	1.814	70	20	BDID	
CNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	159821217	SKZVJEOPOVTIIU-JGVFFNPUSA-N	211.211	1.814	70	20	BDID	
C[C@H]1CC(NC(=O)NC2CC=CC2)C[C@H](C)O1	159983026	NTXRBWRJTICCDB-UWVGGRQHSA-N	238.331	1.960	70	20	BDID	
Cc1conc1NC(=O)C(=O)N[C@H](C)C(C)C	159995726	GSEKZCUCUWGDPP-MRVPVSSYSA-N	239.275	1.082	70	20	BDID	
CCc1nc(Cn2cnc3c2CCCC3)no1	160726307	ZYVHOQJNAVUQDG-UHFFFAOYSA-N	232.287	1.756	70	20	BDID	
CC[C@H](CCO)NS(=O)(=O)CC(C)(C)C	218192067	VWXTYDXTWAFPHX-SECBINFHSA-N	237.365	1.113	70	20	BDID	
C[C@@H]1CCC[C@H](N(C)C(=O)[C@H](C)CN)C1	218373778	REYOMXKLGHAXKM-MXWKQRLJSA-N	212.337	1.618	70	20	BDID	
COC(CN1CCOc2cc(C)ccc21)OC	161246386	ITQIJQFVBBMDMC-UHFFFAOYSA-N	237.299	1.813	70	20	BDID	
Cc1noc([C@@H]2COCCN2CC2CCC2)n1	160929663	JWYYPXQZUIOYAD-NSHDSACASA-N	237.303	1.551	70	20	BDID	
COCCN(CCCCCO)Cc1ccco1	160966623	LXNBKGIDDWLKKF-UHFFFAOYSA-N	241.331	1.891	70	20	BDID	
Cc1nnc(NC(=O)[C@@H]2CCCCO2)s1	159741297	CWNUPSKGPMFOQU-ZETCQYMHSA-N	227.289	1.354	70	20	BDID	
c1cnc(N[C@@H]2CCN3CCCC[C@@H]23)cn1	217360266	VZXCMEKDXZEQSD-MNOVXSKESA-N	218.304	1.515	70	20	BDID	
CC1CCC(NC(=O)N[C@@H]2CCOC2)CC1	159455365	KXWYCMCLHTVQHU-VQXHTEKXSA-N	226.320	1.653	70	20	BDID	
N[C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)o2)C1	161134961	HHPGPBIHJAXRBG-HTQZYQBOSA-N	242.706	1.933	70	20	BDID	
CCOC(=O)C[C@H](C)SCc1ccnn1C	161386419	BWIWLUJWTBFFQK-VIFPVBQESA-N	242.344	1.995	70	20	BDID	
Cn1ncnc1Cn1nc(C2CC2)nc1C1CC1	161434413	UCOOYWOAXBZKDV-UHFFFAOYSA-N	244.302	1.210	70	20	BDID	
CCOC(=O)[C@@H](NCCC(C)(C)O)[C@@H](C)CC	159618623	NLPIRAAHDFDUOI-QWRGUYRKSA-N	245.363	1.715	70	20	BDID	
O=C(c1cncc(F)c1)N1C[C@@H]2CCC[C@H](C1)N2	160158136	SCPIAJKKGQNYST-TXEJJXNPSA-N	249.289	1.187	70	20	BDID	
CCS(=O)(=O)N1CCC[C@H]2CCCC[C@H]21	159457897	WXLDEPTVEMMOOB-GHMZBOCLSA-N	231.361	1.991	70	20	BDID	
CC[C@@H](O)CCNCc1ccnn1CC	160642096	LWRHTKCPUHFVQG-LLVKDONJSA-N	211.309	1.154	70	20	BDID	
CC[C@@H](CCO)NCc1ncc(Cl)n1C	217798269	NMFKCJCHFHPQQY-QMMMGPOBSA-N	231.727	1.324	70	20	BDID	
CC(C)N(C)C(=O)N[C@H]1CCO[C@H](C2CC2)C1	160350309	HUWKJRSSDFBFMK-RYUDHWBXSA-N	240.347	1.994	70	20	BDID	
CC(=O)c1ccc(C(=O)N(C)[C@@H](C)CO)cc1	160489070	ONRXBNFFZRRGLE-VIFPVBQESA-N	235.283	1.342	70	20	BDID	
CCC[C@H](C(=O)NCC[C@H](C)O)C(C)C	159547517	NXRMTDHYINIXPG-QWRGUYRKSA-N	215.337	1.946	70	20	BDID	
Cc1cc(C)nc(NC2(CO)CCC2)n1	160437096	ZUTXNZDIVLPTDU-UHFFFAOYSA-N	207.277	1.420	70	20	BDID	
O=C(N[C@@H]1CCCSC1)c1cccc(F)n1	160742061	KXFBZPHOJLQNJP-MRVPVSSYSA-N	240.303	1.846	70	20	BDID	
CC[C@H](C)C(=O)NC[C@@](C)(O)CSC	217633877	ANMSJBXHKNVVNJ-WCBMZHEXSA-N	219.350	1.263	70	20	BDID	
CC[C@H]1c2ccccc2CCN1C(=O)[C@@H](C)N	160132581	YTSUWCIYLRYYMT-MFKMUULPSA-N	232.327	1.870	70	20	BDID	
COc1cccc2c1CC[C@H]2NC(=O)[C@@H](C)OC	160038517	PCRLVIPNCIPIMJ-BXKDBHETSA-N	249.310	1.834	70	20	BDID	
CC(C)c1cc(=O)n(CCn2cccn2)cn1	160918579	JQUBEDFLALHTDP-UHFFFAOYSA-N	232.287	1.263	70	20	BDID	
C[C@H]1Cc2ccccc2N1C(=O)N[C@@H]1CCOC1	159465493	UCGYKTJYBVNZLB-CMPLNLGQSA-N	246.310	1.936	70	20	BDID	
C[C@@H](N[C@H]1CCOC1=O)c1cccc(F)c1F	159517748	JDORKSACFUMKQU-XCBNKYQSSA-N	241.237	1.931	70	20	BDID	
O=S(=O)(Cl)Cc1ccc(F)cn1	130234418	XKDJDMUNCWOFGC-UHFFFAOYSA-N	209.629	1.289	70	20	BDID	
Cc1ccnc(N2CCC[C@](C)(O)C2)c1	160840702	SRZRJPHJBKIMFQ-LBPRGKRZSA-N	206.289	1.741	70	20	BDID	
CONC(=O)c1ccc(C(F)(F)F)cn1	161101815	BBDZOZRFHZLOOG-UHFFFAOYSA-N	220.150	1.392	70	20	BDID	
O=S(=O)(Cl)C[C@@H]1OCCc2ccccc21	112427160	JIQDXDIZEZSLPE-JTQLQIEISA-N	246.715	1.869	70	20	BDID	
COCC(C)(C)C(=O)NCCCOCC(C)C	160415390	RLXRWVZKYTUIMP-UHFFFAOYSA-N	245.363	1.838	70	20	BDID	
CCOCCNC(=O)c1cc([C@H](C)CC)no1	160910743	JQKOKSBRLQUKDO-SECBINFHSA-N	240.303	1.954	70	20	BDID	
CCONC(=O)c1c(C(C)C)nn(C)c1Cl	159593472	XSTHKUCKJHAEQC-UHFFFAOYSA-N	245.710	1.878	70	20	BDID	
CC(C)(C)CCCNC(=O)C[C@@H]1CNCCO1	160538805	WFUBLBOFQGKSSB-LLVKDONJSA-N	242.363	1.307	70	20	BDID	
CC[C@H](C(=O)Nc1ccccc1)C(=O)OC	216849154	SSWWGNXCWRHOFR-SNVBAGLBSA-N	221.256	1.824	70	20	BDID	
COC(=O)[C@@H](C)N1CCC(NC(C)C)CC1	160497484	RBUKATLZIVWPJT-SNVBAGLBSA-N	228.336	1.010	70	20	BDID	
COC(=O)c1ccc(S(=O)(=O)F)c(OC)c1	238852645	GUSCJDYKCJKQBW-UHFFFAOYSA-N	248.231	1.140	70	20	BDID	
COCCCN(C)C(=O)C[C@H](C)SC	161297919	SWCKQQRPAUEMLE-VIFPVBQESA-N	219.350	1.623	70	20	BDID	
CCCNS(=O)(=O)NCC(CC)CC	160463360	AIKGANNRPFCISW-UHFFFAOYSA-N	222.354	1.257	70	20	BDID	
O=C(NCC1(C2CC2)CC1)[C@H]1CCCCO1	159854369	JGQMBSUEQNTKAK-LLVKDONJSA-N	223.316	1.862	70	20	BDID	
CN(C(=O)CN1CC[C@@H]2CCCC[C@@H]21)C1CC1	160558618	KSAPZDATKGCRJB-AAEUAGOBSA-N	236.359	1.872	70	20	BDID	
C[C@H]1CN(C(=O)[C@@H]2CCC[C@@H](N)C2)CCCO1	217692778	NALCUUDICRAYEQ-QJPTWQEYSA-N	240.347	1.141	70	20	BDID	
CC(C)[C@H](CCO)NC(=O)c1cccs1	160789516	HDUCDOVNCOZIEN-VIFPVBQESA-N	227.329	1.885	70	20	BDID	
C[C@@H]1CN(C(=O)N[C@@H]2CCOC2)C[C@@H]1C	159440181	PLSZINDVPODJDT-KXUCPTDWSA-N	212.293	1.073	70	20	BDID	
CCN(C)C(=O)c1cccc(OCCO)c1	160003021	RYFZHTZBLCUJST-UHFFFAOYSA-N	223.272	1.150	70	20	BDID	
CC(C)c1cc(C(=O)NC[C@H](C)CCO)n[nH]1	160988202	PNVISXOYKCGZNQ-SECBINFHSA-N	239.319	1.281	70	20	BDID	
C[C@@H]1CCCC[C@H]1N(C)C(=O)N[C@@H]1CCOC1	159458956	UHSGSKQBMCRIGF-IJLUTSLNSA-N	240.347	1.995	70	20	BDID	
CCOCCNc1nc(C(=O)OCC)co1	159692065	YOMJDYRTASBUIN-UHFFFAOYSA-N	228.248	1.300	70	20	BDID	
C[C@@H](Cn1cccn1)NCC[C@@H]1CCCCO1	159523555	VUSACRLUMBWQCP-STQMWFEESA-N	237.347	1.820	70	20	BDID	
CCCN1CCN(C(=O)CC(C)(C)C)CC1	218469587	ZMCVYLSDXSJTFT-UHFFFAOYSA-N	226.364	1.977	70	20	BDID	
CS[C@@H](C)CNC(=O)NC1CCC1	159403810	XDLNGEQBOBPCTH-ZETCQYMHSA-N	202.323	1.590	70	20	BDID	
C[C@H](CCO)Nc1nnc(C2CC2)s1	160658273	NVTFPRCVJVFIGZ-ZCFIWIBFSA-N	213.306	1.598	70	20	BDID	
N[C@H]1CCC[C@H](NC(=O)c2cscn2)C1	160778549	PCJPHBJENOIOPL-YUMQZZPRSA-N	225.317	1.143	70	20	BDID	
CCCS(=O)(=O)N(C)CC[C@@H](N)C(C)C	161240922	BWTCAZSRZQHHPN-SNVBAGLBSA-N	236.381	1.031	70	20	BDID	
CC(C)OC(=O)CCCNC(=O)N(C)C(C)C	160088968	NAVPWQNJEFCNHR-UHFFFAOYSA-N	244.335	1.768	70	20	BDID	
C[C@H]1CCN(C(=O)Nc2ccn(C)n2)C[C@H]1C	160757107	BZEVOYDKRVKMNW-VHSXEESVSA-N	236.319	1.930	70	20	BDID	
CC[C@@H](c1ccncc1)N(C)S(=O)(=O)CC	159766450	ZKAAUNDAPGVUEX-NSHDSACASA-N	242.344	1.814	70	20	BDID	
O=C(N[C@@H]1CCOC1)N1CCC[C@H]2CCC[C@H]21	159382313	OLJMIVFMJTYVOB-IJLUTSLNSA-N	238.331	1.749	70	20	BDID	
C[C@@H]1CCCN(C(=O)N[C@@H]2CCOC2)C1	159568133	BIFQCWIMYQYEGD-NXEZZACHSA-N	212.293	1.217	70	20	BDID	
CC(C)(CCO)NC(=O)Cc1cccs1	160767046	MOYACUMJAJMVNM-UHFFFAOYSA-N	227.329	1.568	70	20	BDID	
C[C@@]1(O)CCCN(C(=O)[C@H]2CCSC2)C1	161027913	CZCPJFKTFOALHQ-GXSJLCMTSA-N	229.345	1.113	70	20	BDID	
O=C(CCCNC(=O)C1CC1)NC1CC=CC1	160855097	ZMVQEASACVGPSR-UHFFFAOYSA-N	236.315	1.128	70	20	BDID	
CC(C)[C@@H](C)N(C)C(=O)N[C@@H]1CCOC1	159542671	LJDCPXQZWARJGP-NXEZZACHSA-N	214.309	1.461	70	20	BDID	
C[C@@H]1CC[C@@H](CC(=O)N2CCNCC2)C1	159409045	ASVPKYAJKGSERT-GHMZBOCLSA-N	210.321	1.245	70	20	BDID	
C[C@H](C1CCOCC1)S(=O)(=O)Cl	259557645	VDQDTOZMIGGQSC-ZCFIWIBFSA-N	212.698	1.370	70	20	BDID	
CCC(C)(CC)C(=O)NCCCCC(N)=O	159420474	QJXNBHZWVYOUCD-UHFFFAOYSA-N	228.336	1.585	70	20	BDID	
CCN(CC)[C@H](C)CNC(=O)[C@H]1CCCCO1	161426996	RMXIJONNITXJHI-VXGBXAGGSA-N	242.363	1.402	70	20	BDID	
CC[C@H](C)CS(=O)(=O)N[C@H](CC)COC	160324497	HXMUKFHLVMYFIC-VHSXEESVSA-N	237.365	1.377	70	20	BDID	
COC[C@@H](NC(=O)Nc1cccnn1)C1CC1	160940042	NOMHRRCSMHONSY-SECBINFHSA-N	236.275	1.023	70	20	BDID	
Cc1ccc(C(=O)NC[C@H](C)CO)c(O)c1C	159593429	IWZUCXUVEWJFDE-QMMMGPOBSA-N	237.299	1.367	70	20	BDID	
CC(=O)c1ccc(N(C)CC[C@@H](C)O)nc1	160474164	XOQKGKNWKSTZPT-SECBINFHSA-N	222.288	1.491	70	20	BDID	
CC[C@@H](C)NC(=O)CS[C@@H](C)CO	160779111	WFLRSAJLHMKYKL-SFYZADRCSA-N	205.323	1.015	70	20	BDID	
CSC[C@H](C)N[C@@H]1CCCOCC1	161452173	FPPKDYMHKMOIQH-VHSXEESVSA-N	203.351	1.897	70	20	BDID	
CC[C@H](C)N(C)CCNCC1(C)COC1	217753042	IGRCOBUFKLVISF-NSHDSACASA-N	214.353	1.343	70	20	BDID	
Cc1cc(C(=O)N(C)Cc2cccnc2)ncn1	161227281	XEWINXSZPXTYSF-UHFFFAOYSA-N	242.282	1.452	70	20	BDID	
CC(C)[C@@H](C)NC(=O)N1CC[C@@H](CO)C1	160885476	YERNLLFDCLSBGF-NXEZZACHSA-N	214.309	1.055	70	20	BDID	
CCOC[C@@]1(C)C[C@H]1S(=O)(=O)Cl	521399943	DOAVYDUYTXSUFH-RNFRBKRXSA-N	212.698	1.370	70	20	BDID	
c1ccn2c(OCc3nccs3)nnc2c1	161209471	OBNGRQCSCXDUII-UHFFFAOYSA-N	232.268	1.765	70	20	BDID	
CC[C@@H](C)OCC(=O)N1CCC[C@H]1COC	160884326	YLFGSLOLQWFSTF-MNOVXSKESA-N	229.320	1.439	70	20	BDID	
CNCC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C	159886146	KIQWFFWHLMZHRP-OLZOCXBDSA-N	246.354	1.919	70	20	BDID	
CCc1[nH]nc(NC(=O)[C@@H]2CC[C@H](C)O2)c1C	159738502	UYAKRUYMZILKHI-XVKPBYJWSA-N	237.303	1.787	70	20	BDID	
C[C@@H](O)C[C@@H](C)CNC(=O)C1(CN)CCCC1	160568840	DWYFOLGPCHDSCT-GHMZBOCLSA-N	242.363	1.029	70	20	BDID	
CC[C@@H](C)N(C)CCN[C@@H]1CCSC1	160066045	AHFLXBFNQIOJBM-GHMZBOCLSA-N	216.394	1.812	70	20	BDID	
CSC[C@H](C)C(=O)NCCCC(C)(C)CO	160362755	ICZCRDKWMOVFBS-JTQLQIEISA-N	247.404	1.900	70	20	BDID	
CN(CC(F)F)C(=O)CC[C@H]1CCNC1	160460383	NMFSAWNPQMYQHC-QMMMGPOBSA-N	220.263	1.100	70	20	BDID	
CCN(CC)C(=O)[C@H](C)S[C@@H](C)CO	160752970	QKKBOFIMACFJOF-IUCAKERBSA-N	219.350	1.357	70	20	BDID	
Cc1nc(C2CCC2)nn1CCS(=O)(=O)F	883954118	ZZGUSHTYMYAEHN-UHFFFAOYSA-N	247.295	1.153	70	20	BDID	
C[C@H](OC[C@H]1CCCO1)C(=O)NC1CC=CC1	161009334	LAGLCTMXERVEHZ-CMPLNLGQSA-N	239.315	1.405	70	20	BDID	
CCCC[C@H](COC)NC(=O)[C@@H]1CCCNC1	161166201	XJORTUXKJKUFMM-VXGBXAGGSA-N	242.363	1.307	70	20	BDID	
CC1(O)CCN(c2ncc(Cl)cn2)CC1	161188919	GUWYZYGUNLVIMG-UHFFFAOYSA-N	227.695	1.481	70	20	BDID	
CCNC(=O)C(C)(C)CNc1nccc(C)n1	161335366	IJEPCPSHPPHIQN-UHFFFAOYSA-N	236.319	1.359	70	20	BDID	
CSc1cc(C(=O)N(C)[C@H](C)CO)ccn1	160583704	ZNUHOLJLWFAOOY-MRVPVSSYSA-N	240.328	1.256	70	20	BDID	
NCCCNC(=O)c1cccc2c1CCC2	160011010	PXYMHQBWUONLEH-UHFFFAOYSA-N	218.300	1.254	70	20	BDID	
CC[C@@H]1CN(C(=O)N[C@@H]2CCOC2)CCS1	159449663	QCALRTFKKRFUSF-NXEZZACHSA-N	244.360	1.312	70	20	BDID	
COc1ccc([C@H](C)CC(=O)NCCO)cc1	159455466	PNUGXODJEYGICD-SNVBAGLBSA-N	237.299	1.297	70	20	BDID	
C[C@H](NCCn1ccnc1)c1cscn1	161138344	NKOGPKNINSCCFW-VIFPVBQESA-N	222.317	1.690	70	20	BDID	
CCOC[C@H](C)NCCN(C)[C@@H](C)CC	160131098	ABXLWZIIHANIHS-RYUDHWBXSA-N	216.369	1.731	70	20	BDID	
CCOC(=O)Cc1cnc2ccc(C)cn12	218608641	LTJITDUOSCFRHR-UHFFFAOYSA-N	218.256	1.748	70	20	BDID	
CC(C)c1onc(N)c1S(=O)(=O)Cl	232306395	IKBLABNTSYSHPE-UHFFFAOYSA-N	224.669	1.308	70	20	BDID	
CC(C)S(=O)(=O)CCCN1CCCC1	160466262	BTZRYBWEZRVVPM-UHFFFAOYSA-N	219.350	1.296	70	20	BDID	
CN[C@H]1CCN(C(=O)[C@H](C)c2cccnc2)C1	160531767	VCDWZDBIZFVJMH-PWSUYJOCSA-N	233.315	1.005	70	20	BDID	
C[C@H](CC(=O)NCC(F)F)c1ccncc1	160947892	DVVRAADDVAHJNA-MRVPVSSYSA-N	228.242	1.957	70	20	BDID	
NCC[C@H]1CCN(CC[C@@H]2CCCO2)C1	160049790	BCXZMMRTXQSAJQ-RYUDHWBXSA-N	212.337	1.226	70	20	BDID	
CN(Cc1cc(O)cc(F)c1)[C@@H]1CCOC1	159850008	FCIPVOOAOQMRAT-LLVKDONJSA-N	225.263	1.752	70	20	BDID	
O=C(c1cc[nH]n1)N1CCc2c(F)cccc2C1	161027954	KQIBRBYOHPFQDL-UHFFFAOYSA-N	245.257	1.747	70	20	BDID	
COCCOCCNc1ncccc1OC	160221991	AJYRAALAAAZSGO-UHFFFAOYSA-N	226.276	1.165	70	20	BDID	
CCOC(=O)CN1CC[C@H](Nc2ccccc2)C1	160279628	ZZWAPFHMVKQMLB-ZDUSSCGKSA-N	248.326	1.736	70	20	BDID	
CC(C)C1(CNC(=O)[C@]2(F)CCNC2)CC1	160821786	YGMZOJXUCRULQG-LBPRGKRZSA-N	228.311	1.240	70	20	BDID	
CN(CCOCC1CC1)C[C@@H]1CCCO1	160271788	XTNGBZIMMFERGT-LBPRGKRZSA-N	213.321	1.524	70	20	BDID	
C[C@H]1COC[C@@H](C)N1C(=O)c1ccc(N)cc1	160520005	YFVOJBLRLCBBTR-AOOOYVTPSA-N	234.299	1.518	70	20	BDID	
CCOCCN(C)C(=O)N1CCCC1	161491133	ZFMVOWIUKQXKEJ-UHFFFAOYSA-N	200.282	1.171	70	20	BDID	
CC[C@@H](C)[C@@H](N)C(=O)Nc1ccccn1	160792150	HNXZFWRQOSNHPI-PSASIEDQSA-N	207.277	1.394	70	20	BDID	
C[C@@H](N)CN[C@H](C)Cc1ccc(F)cc1	218299976	XIYHAARGCWDGHR-NXEZZACHSA-N	210.296	1.694	70	20	BDID	
CO[C@@H]1C[C@H](S(=O)(=O)Cl)C12CCC2	306417797	YYBUSZVHLQZHAA-RQJHMYQMSA-N	224.709	1.513	70	20	BDID	
COC(=O)C[C@@H](O)CSc1ccncc1	160019798	NCZTWEUSFUWXGW-MRVPVSSYSA-N	227.285	1.098	70	20	BDID	
CCCCC(=O)N[C@H](C)CC(=O)OCC	160403860	BMPCSOGBFPXOBU-SECBINFHSA-N	215.293	1.635	70	20	BDID	
CC[C@@H](C)Oc1ccc(C(=O)NCCO)cc1	159378416	YMYUQKVJYYFPGE-SNVBAGLBSA-N	237.299	1.586	70	20	BDID	
CCN(C(=O)c1cccnc1O)C1CC1	159595090	PAJHZLFSEMETHD-UHFFFAOYSA-N	206.245	1.412	70	20	BDID	
Cc1nccc(N[C@@H](CO)CC(C)(C)C)n1	161413070	OJJSDGOGDUWHCH-SNVBAGLBSA-N	223.320	1.994	70	20	BDID	
CCc1nc(C)ccc1S(=O)(=O)Cl	100547784	QKVFLPQTSFIZCY-UHFFFAOYSA-N	219.693	1.880	70	20	BDID	
CC[C@@H](C)N(C)CCNC(=O)C(F)(F)F	217406696	HXXFTJHXULNFSK-SSDOTTSWSA-N	226.242	1.395	70	20	BDID	
CNCCCn1ccc2sccc2c1=O	161162153	HYFMTCHQHCMTTA-UHFFFAOYSA-N	222.313	1.673	70	20	BDID	
COCCSc1ncnc2[nH]cnc12	161353484	CRFAPDAAKLAUAU-UHFFFAOYSA-N	210.262	1.091	70	20	BDID	
Cc1cccc(C(=O)NCCn2cccn2)c1F	161489606	GMVJXPGITFRERX-UHFFFAOYSA-N	247.273	1.761	70	20	BDID	
CCc1nc(CN(C)[C@@H](CC)CSC)n[nH]1	160254755	FAZPZEQAGLOEDT-VIFPVBQESA-N	242.392	1.941	70	20	BDID	
Cc1ccc(-c2nnc(NC(=O)C(C)C)[nH]2)o1	160272896	YFZVTSFQNVHYPV-UHFFFAOYSA-N	234.259	1.968	70	20	BDID	
C[C@@H](O)[C@H]1CCCN(C(=O)NC(C)(C)C)C1	160898324	OBELBGZEUVLWSO-ZJUUUORDSA-N	228.336	1.587	70	20	BDID	
C[C@@H]1NCCC[C@@H]1NC(=O)C1CC=CC1	160537489	VZSSXKXYLTYSMT-ONGXEEELSA-N	208.305	1.209	70	20	BDID	
CNC[C@H](C)C(=O)Nc1ccc(OC)c(N)c1	161245635	YQTKOZYSEPXPFG-QMMMGPOBSA-N	237.303	1.071	70	20	BDID	
CCN(CC)CCSCCn1ccnc1	160151992	QDAHGSKJROFQHS-UHFFFAOYSA-N	227.377	1.958	70	20	BDID	
O=C(NCCCn1ccnc1)NC1CC=CC1	160291208	HMQHYURMHAMTAL-UHFFFAOYSA-N	234.303	1.291	70	20	BDID	
O=C(c1cn[nH]c1)N1CC=C(C(F)(F)F)CC1	160585067	JHGBQDDJBOMLCA-UHFFFAOYSA-N	245.204	1.744	70	20	BDID	
CONC(=O)C[C@@H](C)c1c(C)n[nH]c1C	159709547	WEAHBVCPARVYSW-ZCFIWIBFSA-N	211.265	1.198	70	20	BDID	
CC[C@]1(C)C[C@@H]1C(=O)NCCNC(=O)C(C)C	159792952	SDOWLCCMXDMWIW-ZWNOBZJWSA-N	240.347	1.311	70	20	BDID	
CCN(C)C(=O)N[C@@H]1CCN(C2CCCC2)C1	160865098	WSZLATDUEVKZOB-LLVKDONJSA-N	239.363	1.665	70	20	BDID	
CC(C)C1CCN(S(=O)(=O)Cl)CC1	232605995	JLDDTBDCIBPBNU-UHFFFAOYSA-N	225.741	1.838	70	20	BDID	
Cc1ccc(NC(=O)NCC(F)F)cn1	161325051	XDFBRHBTRKKRFC-UHFFFAOYSA-N	215.203	1.777	70	20	BDID	
CCCNC(=O)NOCc1cccnc1	160989306	IWTKHUALUIPESF-UHFFFAOYSA-N	209.249	1.222	70	20	BDID	
CCC[C@](C)(O)C(=O)Nc1ccc(F)nc1	159587376	DJFFLRTXORZMGL-NSHDSACASA-N	226.251	1.710	70	20	BDID	
Cc1ccoc1C(=O)N[C@H]1CCC[C@H](N)C1	160899834	AISMEXUCRUTROV-UWVGGRQHSA-N	222.288	1.588	70	20	BDID	
Cc1ccc(C(=O)NCC2(N)CCCCC2)n1C	159706422	ZFOISCCMPCAKTK-UHFFFAOYSA-N	249.358	1.725	70	20	BDID	
CC[C@@H](CCO)NC(=O)[C@@H](C)C(C)C	160117190	PTFMGBBKJKRMPZ-UWVGGRQHSA-N	201.310	1.556	70	20	BDID	
CCCCN1CCN(Cc2ccncc2)CC1	161139574	LYMZOQJBGVEEBT-UHFFFAOYSA-N	233.359	1.999	70	20	BDID	
O=S(=O)(Cl)CC12CCCN(CCC1)C2	536954527	NVPVLTAKYACXLX-UHFFFAOYSA-N	237.752	1.431	70	20	BDID	
CC[C@@H]1c2ccccc2CCN1C(=O)[C@H](C)N	160132129	YTSUWCIYLRYYMT-GXFFZTMASA-N	232.327	1.870	70	20	BDID	
C[C@H](N)CC(=O)NC[C@H]1CCCC[C@@H]1C	218462003	PVTPNTNQEOLIKX-GARJFASQSA-N	212.337	1.666	70	20	BDID	
CC[C@H]1CC[C@@H](C)N(S(=O)(=O)Cl)C1	306786399	KTTLSXZZYKOICY-SFYZADRCSA-N	225.741	1.981	70	20	BDID	
O=S(=O)(Cl)Cc1ccncc1Cl	116769757	ZQWCKQNPVRMNFP-UHFFFAOYSA-N	226.084	1.804	70	20	BDID	
C[C@H]1C[C@H](C)N(Cc2cnc(N)s2)C1	161298497	KUBIDTKLKSNXQK-YUMQZZPRSA-N	211.334	1.956	70	20	BDID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)C1(C)CC1)CC2	160513009	HFXHGMWXPKHBRN-GXSJLCMTSA-N	234.347	1.680	70	20	BDID	
CN(C)c1ccc(NC(=O)[C@@H]2CCCCO2)cn1	160539921	KYGJBYTVSDLNCM-NSHDSACASA-N	249.314	1.655	70	20	BDID	
CNCC(=O)N1CCCC[C@@H]1CC(C)C	160874852	IRKJDYPJOGOIGS-LLVKDONJSA-N	212.337	1.633	70	20	BDID	
C[C@@H](N)C(=O)NCCCCC1CCCC1	160900271	FVLNHNZZGPDYIC-SNVBAGLBSA-N	212.337	1.810	70	20	BDID	
CCC[C@H](O)CN[C@H](C)c1ccncc1	161234259	BIMJMHJOLHXZKY-PWSUYJOCSA-N	208.305	1.893	70	20	BDID	
CC[C@H](C)[C@@H](C)NC(=O)c1cccnc1O	161064305	UFWWZPSPSMUCIO-DTWKUNHWSA-N	222.288	1.952	70	20	BDID	
CCCNCCNCc1ccccc1F	161364358	YVLHATQDMLWKKF-UHFFFAOYSA-N	210.296	1.915	70	20	BDID	
CCSCC[C@@H](C)NC(=O)N[C@@H]1CCOC1	159417143	XZTMYVWHACCLIJ-NXEZZACHSA-N	246.376	1.606	70	20	BDID	
CC(C)[C@@H](Cc1ccccc1)C(=O)NCC(N)=O	159420453	YWAOOMXBBDMACW-GFCCVEGCSA-N	248.326	1.103	70	20	BDID	
C/C(=C/C(=O)NCCO)c1cccc(Cl)c1	159364295	KTUYATYBMBQBEW-CLFYSBASSA-N	239.702	1.852	70	20	BDID	
CCc1nc(CN(C)CCc2ccccn2)n[nH]1	159581024	BWVDCWAKZJIISJ-UHFFFAOYSA-N	245.330	1.437	70	20	BDID	
NC1(CNC(=O)C2[C@H]3CCC[C@H]23)CCCCC1	159501020	ZUZJSRWEJILPLS-QWRGUYRKSA-N	236.359	1.810	70	20	BDID	
CC1(NC(=O)c2ccc(F)nc2)CCC1	160023547	REDOYHKIKGZMKI-UHFFFAOYSA-N	208.236	1.893	70	20	BDID	
CCC[C@H](C(=O)OCC)N(C)C[C@H](O)C1CC1	160817216	DEHWDQIPWBGFSQ-NEPJUHHUSA-N	243.347	1.421	70	20	BDID	
CO[C@@H](C)CNC(=O)/C=C\c1ccccc1	216748034	AONVTFURXMUGHH-IQQGHNRFSA-N	219.284	1.851	70	20	BDID	
C[C@@H]1CCN(C(=O)[C@]2(C)CCCCN2)C1	159574474	MKNRXMQKQRSVJC-PWSUYJOCSA-N	210.321	1.387	70	20	BDID	
C[C@@H]1COCCN1C(=O)c1ccncc1F	161389347	XUHAGGPAGPTPHE-MRVPVSSYSA-N	224.235	1.082	70	20	BDID	
CN1CCC[C@H]1CCN1CCOC(C)(C)C1	161401978	XWSDVUGNMGZJHU-LBPRGKRZSA-N	226.364	1.582	70	20	BDID	
Cc1ncsc1CCS(=O)(=O)F	238850420	BLHNIIGTQDESNW-UHFFFAOYSA-N	209.267	1.293	70	20	BDID	
CS[C@@H](C)CC(=O)NCCCC(=O)N(C)C	161025750	HPLGDMJEEUPQOM-VIFPVBQESA-N	246.376	1.113	70	20	BDID	
O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CCCO1	160956952	QEGDDSPLBIVCRK-JTQLQIEISA-N	232.243	1.075	70	20	BDID	
C[C@H]1CCC[C@H](CC(=O)N2CCNCC2)C1	159403979	VUFZEKYWJNXGHG-RYUDHWBXSA-N	224.348	1.635	70	20	BDID	
CCOC(=O)[C@H](NC(C)=O)C(C)(C)C	217016141	UFAQZUIMKBLGCQ-QMMMGPOBSA-N	201.266	1.100	70	20	BDID	
O=C(NCc1ccc(F)cc1)Nc1ncccn1	217270180	PBFREGWOIMWJHH-UHFFFAOYSA-N	246.245	1.937	70	20	BDID	
Cc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCOC2)cn1	161330320	YWLFXYLKCXMOLC-WDEREUQCSA-N	249.314	1.937	70	20	BDID	
CC(C)OCCCNC(=O)[C@H](C(C)C)N(C)C	160330470	BXYLDUIPZZNCIP-LBPRGKRZSA-N	244.379	1.504	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)COCCOC	159532208	JWSUCVVQCCRCMJ-GHMZBOCLSA-N	229.320	1.344	70	20	BDID	
CCN1CCCN(C(=O)NC2CC=CC2)CC1	159988004	KXCHTGORHJCPJR-UHFFFAOYSA-N	237.347	1.442	70	20	BDID	
Cc1nccc(C(=O)NCC2(N)CCCCC2)n1	159644880	LXEUNDWOEVPZNN-UHFFFAOYSA-N	248.330	1.176	70	20	BDID	
COC(=O)CN(C(=O)N(C)C)C1CCCC1	160841604	RTMZAXUXNOZZQV-UHFFFAOYSA-N	228.292	1.086	70	20	BDID	
CCO[C@H](CC)C(=O)N[C@@H]1CCC[C@H](N)C1	161066967	ASFXSDCFLRVWEM-HBNTYKKESA-N	228.336	1.188	70	20	BDID	
COCC(C)(C)C(=O)Nc1cc(C)n(C)n1	161172908	ZSMXGNJKGSLLTL-UHFFFAOYSA-N	225.292	1.340	70	20	BDID	
CC(C)COCCCNC(=O)[C@H]1CCCCO1	161336747	ZHRJXHWMICKEDC-GFCCVEGCSA-N	243.347	1.734	70	20	BDID	
O=C(NCCc1ccccn1)[C@H]1CCCCO1	160675447	AQRQJLPJWDGEQF-GFCCVEGCSA-N	234.299	1.309	70	20	BDID	
N[C@H]1CCC[C@@H](NC(=O)CCc2cccnc2)C1	161238761	OWYBJTVZKQRQDL-QWHCGFSZSA-N	247.342	1.400	70	20	BDID	
COC(=O)c1cc(OS(=O)(=O)F)ccc1C	1887551762	TXULYZYZUSSXGY-UHFFFAOYSA-N	248.231	1.375	70	20	BDID	
Cc1ccc(C(=O)NC(C)(C)CCO)s1	160777832	MBYJSACHLCXXGI-UHFFFAOYSA-N	227.329	1.947	70	20	BDID	
Cc1nn(C)c(CS(=O)(=O)Cl)c1Cl	91330874	WUZBQKXCNNDRCF-UHFFFAOYSA-N	243.115	1.451	70	20	BDID	
CC[C@@H](C)N(C)CCNC(=O)N1CCCCC1	217401865	KCYLKNYOTTYFET-GFCCVEGCSA-N	241.379	1.912	70	20	BDID	
CC[C@@H](COC)NC(=O)NC1(C)CCC1	161436392	PSFNBMMHAHCBPO-VIFPVBQESA-N	214.309	1.653	70	20	BDID	
Cc1ccc([C@@H](C)CNC(=O)[C@@H](C)N)cc1	161168820	XROWEUWUEBZEJO-WDEREUQCSA-N	220.316	1.562	70	20	BDID	
C[C@@H](CO)N(C)C(=O)CO[C@@H]1CCCC[C@H]1C	160371138	FLJWYRWJLFDNTF-GRYCIOLGSA-N	243.347	1.421	70	20	BDID	
COCCC(=O)N1CCc2c(F)cccc2C1	160796098	ALXOMUICPLXXGH-UHFFFAOYSA-N	237.274	1.747	70	20	BDID	
O=C(c1ccsc1)N1C[C@@H]2CCC[C@H](C1)N2	159526611	QOKRVRNROSWOFN-PHIMTYICSA-N	236.340	1.715	70	20	BDID	
CCNC(=O)NC[C@@H](O)c1cccc(OC)c1	217426619	NISXXDRIJVGFOD-LLVKDONJSA-N	238.287	1.048	70	20	BDID	
CCc1nc(C(=O)NC[C@](C)(O)CC)co1	159409530	SOBHMSVZXQSRGC-LLVKDONJSA-N	226.276	1.128	70	20	BDID	
CCCCOCC(=O)NCC1(N)CCCCC1	159516434	VGAZETUAGLMDCX-UHFFFAOYSA-N	242.363	1.581	70	20	BDID	
CCOCCCNC(=S)NC1(C)CCC1	159965669	STYXJNAJOITPFN-UHFFFAOYSA-N	230.377	1.820	70	20	BDID	
CC(C)CCS(=O)(=O)NC1(C)CCOCC1	161019860	LKJMZWZWZWOADD-UHFFFAOYSA-N	249.376	1.521	70	20	BDID	
CC(C)[C@H](N)C(=O)NC[C@@H]1CCc2ccccc21	159733166	BQGGZGASEQCEFU-JSGCOSHPSA-N	246.354	1.816	70	20	BDID	
C[C@@H]1C[C@@H]1C(=O)NC[C@]1(C)CCCNC1	159966174	FKUBKBAXEJVOND-JFGNBEQYSA-N	210.321	1.148	70	20	BDID	
CC[C@@H]1CCCC[C@@H]1NCC1(CO)COC1	161431337	JZOZRHBOLXYSFU-NEPJUHHUSA-N	227.348	1.554	70	20	BDID	
CCCN(CC)C(=O)N[C@@H]1CCOC1	159560459	MQDQUXZFNVUVJB-SECBINFHSA-N	200.282	1.217	70	20	BDID	
Cc1cccc(C(=O)NCCCN(C)C)c1F	161389268	XSKZKXLKXUWENA-UHFFFAOYSA-N	238.306	1.816	70	20	BDID	
CONC(=O)c1cnn(CC(C)C)c1C	160653130	LCEGUTUEKXCJIF-UHFFFAOYSA-N	211.265	1.139	70	20	BDID	
CCOCCC1(CNC(=O)NCCCF)CC1	160732486	BGQBTQNJBNESQD-UHFFFAOYSA-N	246.326	1.852	70	20	BDID	
CCCn1c(C)nnc1CN(C)C1CCC1	159684643	BKBOQWHBZKVRJS-UHFFFAOYSA-N	222.336	1.981	70	20	BDID	
COC(=O)c1ccnc(NCc2cnn(C)c2)c1	217880464	RLMWWKOKMHPQDO-UHFFFAOYSA-N	246.270	1.214	70	20	BDID	
COCCn1cnc2cc(F)c(F)cc21	159969453	XMAONZLYRDLLHD-UHFFFAOYSA-N	212.199	1.961	70	20	BDID	
Cc1cc(C(=O)NCc2cccc(F)c2)ncn1	161476928	FNZRRHKQUPAHCW-UHFFFAOYSA-N	245.257	1.854	70	20	BDID	
CCCNS(=O)(=O)N[C@@H]1CC[C@@H](C)C1	160466002	RYIZQYIQTZOJLH-RKDXNWHRSA-N	220.338	1.009	70	20	BDID	
CC(C)(N)CNC(=O)c1csc(C2CC2)n1	159965785	FHCSFKIRWPFOGF-UHFFFAOYSA-N	239.344	1.488	70	20	BDID	
CC(C)OCCCN1CCCC[C@@H]1CO	159731028	IHCCZWQLIYTDMA-GFCCVEGCSA-N	215.337	1.648	70	20	BDID	
CC[C@H](CCO)NCc1ncc(Cl)n1C	217798359	NMFKCJCHFHPQQY-MRVPVSSYSA-N	231.727	1.324	70	20	BDID	
CCC(CC)NC(=O)Nc1ncccn1	217304949	ATUBNYRPGWKADQ-UHFFFAOYSA-N	208.265	1.787	70	20	BDID	
C[C@@H](N)C(=O)N1CCC[C@@](C)(c2ccccc2)C1	160103093	KLLPNBUAOVEAMU-IUODEOHRSA-N	246.354	1.914	70	20	BDID	
CO[C@@H](C)C(=O)N[C@@H]1CCOC2(CCCC2)C1	159459472	PBDHVCNYFMXSBP-WDEREUQCSA-N	241.331	1.629	70	20	BDID	
COc1cccc(C(=O)N[C@H]2CCC[C@H](N)C2)c1	161181770	AOMYLRCZXJNDJU-RYUDHWBXSA-N	248.326	1.695	70	20	BDID	
CC1(CNc2cnccn2)CCNCC1	160010863	XZPGGTMZHPUHFT-UHFFFAOYSA-N	206.293	1.278	70	20	BDID	
CC[C@@H](C)NC(=O)CS[C@H](C)CO	160779371	WFLRSAJLHMKYKL-HTQZYQBOSA-N	205.323	1.015	70	20	BDID	
Cc1nonc1Cn1cnc2c1CCCC2	160724439	WFPBVPJVVADWJH-UHFFFAOYSA-N	218.260	1.502	70	20	BDID	
CC1CCN(C(=O)N2CC[C@H](N(C)C)C2)CC1	160554912	UQKIPDPNYQWIRL-LBPRGKRZSA-N	239.363	1.474	70	20	BDID	
Cc1c(C(=O)N(C)C)cnn1CC(C)C	160637269	OBNGJVPKOVXVOY-UHFFFAOYSA-N	209.293	1.549	70	20	BDID	
CCCCNC(=O)C(=O)Nc1ccc(C)nc1	159712981	UPPLUBIHNMWFRJ-UHFFFAOYSA-N	235.287	1.245	70	20	BDID	
CCOCCNC(=O)N1CCC2(CCC2)C1	159963262	AHIBPEIIUMVWAT-UHFFFAOYSA-N	226.320	1.609	70	20	BDID	
N#CC1(c2ccc(S(=O)(=O)F)cc2)CC1	1887512042	VECWZZZZHROCPR-UHFFFAOYSA-N	225.244	1.900	70	20	BDID	
C[C@H]1CN(CCn2ccnc2)CC(C)(C)O1	161466086	WYZSQRMVXCAGJK-NSHDSACASA-N	223.320	1.382	70	20	BDID	
CCOC[C@@H](CS(=O)(=O)Cl)C(C)C	114434575	DZHJCFGWSNVGLO-QMMMGPOBSA-N	228.741	1.864	70	20	BDID	
CCCN(CCN(CC)CC)C(=O)N(C)C	160543053	XNSCQADBUQCCAT-UHFFFAOYSA-N	229.368	1.722	70	20	BDID	
C[C@@H]1CCC[C@@H](CC(=O)N2CCNCC2)C1	159404111	VUFZEKYWJNXGHG-VXGBXAGGSA-N	224.348	1.635	70	20	BDID	
CNC(=O)c1cc(C)nc2ccc(OC)cc12	159822828	HEYGFTTZBUSAEM-UHFFFAOYSA-N	230.267	1.911	70	20	BDID	
C[C@H]1CCCN1C(=O)NCCc1cscn1	159496111	NPTBOAWZYQFEES-VIFPVBQESA-N	239.344	1.880	70	20	BDID	
CCC[C@H](C)CC(=O)N1CCC[C@@H]1CN	160264927	CMOQDMHTAKUCME-WDEREUQCSA-N	212.337	1.762	70	20	BDID	
CCOC(=O)c1coc(NC2CCC2)n1	159692238	JDQDWQUODBIXDM-UHFFFAOYSA-N	210.233	1.816	70	20	BDID	
c1cn(CCN(C[C@H]2CCOC2)C2CC2)cn1	159744984	DMCBJOWANWHHIQ-GFCCVEGCSA-N	235.331	1.384	70	20	BDID	
CCN(CC)C(=O)N1CC[C@@H](CCN)C1	160007134	IVNZUBWUPOVLJN-SNVBAGLBSA-N	213.325	1.119	70	20	BDID	
O=C(CCC(F)(F)F)NC1(CO)CCC1	161104471	VELUVKPUHUCYJR-UHFFFAOYSA-N	225.210	1.360	70	20	BDID	
O=C(OC[C@@H]1CCCO1)c1ccncc1F	161435062	FUIONYLBHNKGKV-QMMMGPOBSA-N	225.219	1.557	70	20	BDID	
CCC[C@H](C)N1CCO[C@@H](CC(=O)OC)C1	218592289	RHKVNPCNYZZZGY-QWRGUYRKSA-N	229.320	1.439	70	20	BDID	
CC[C@H](NC(=O)[C@@H](C)N)c1ccc(F)cc1F	161208077	FWRSEFDNPCSJAO-HQJQHLMTSA-N	242.269	1.879	70	20	BDID	
COC[C@H](C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1	161288398	ARUHKDBDCILCCA-IUCAKERBSA-N	239.319	1.048	70	20	BDID	
COC(C)(C)CNC(=O)NC1CC=CC1	160160266	AFYLPKZZMARRFL-UHFFFAOYSA-N	212.293	1.429	70	20	BDID	
CCc1cc(O)nc(CN2CCCC2)n1	160467779	WZKFSFUEAMDMII-UHFFFAOYSA-N	207.277	1.340	70	20	BDID	
C[C@@H](NCCn1ccnc1)c1cscn1	161138475	NKOGPKNINSCCFW-SECBINFHSA-N	222.317	1.690	70	20	BDID	
N#Cc1ccc(O)c(NC(=O)CCl)c1	144667653	PFLIGMBFVYWOAR-UHFFFAOYSA-N	210.620	1.441	70	20	BDID	
Cc1nccn1CCS[C@H](C)[C@H](C)O	217974937	NMZUTTLHWHYAOE-DTWKUNHWSA-N	214.334	1.694	70	20	BDID	
CC(C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H]1CO	217939454	BDCYPULNNIDACB-HBNTYKKESA-N	213.321	1.556	70	20	BDID	
CC1=C(C(=O)NOCc2cccnc2)CCCO1	161041518	RUQOULSCBDSKDX-UHFFFAOYSA-N	248.282	1.714	70	20	BDID	
COC[C@H](O)CCNC(=O)C[C@H](C)CC(C)C	161149658	HEJXEBHUEHTUTM-VXGBXAGGSA-N	245.363	1.572	70	20	BDID	
Cc1ccsc1C(=O)NC[C@H](N)C1CC1	160129771	CIOJXBQPMCHLLI-VIFPVBQESA-N	224.329	1.524	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)C(C)(C)C	160219915	FJWYNSPTQZMSDN-QMMMGPOBSA-N	215.293	1.490	70	20	BDID	
CCCCSCCC(=O)N(C)[C@@H](C)CO	160588520	KDLRLZGFJNXQMU-JTQLQIEISA-N	233.377	1.749	70	20	BDID	
CC(C)c1nnc(CCC(=O)NC2CC=CC2)o1	160967482	OJQSHXXBOXZDBX-UHFFFAOYSA-N	249.314	1.960	70	20	BDID	
CC(C)(N)CNC(=O)/C=C/C1CCCCC1	159969917	WTPMGFVXSKOKJP-CMDGGOBGSA-N	224.348	1.976	70	20	BDID	
COC[C@H]1CCCN(C(=O)NC2CCC2)C1	217940428	HUWSKEIGICPZOU-JTQLQIEISA-N	226.320	1.607	70	20	BDID	
C[C@@H](CC(N)=O)N[C@@H](C)c1ccsc1	160671319	ALXWBZDETFPLDW-YUMQZZPRSA-N	212.318	1.663	70	20	BDID	
CC[C@H](O)CN1C[C@@H](C)OC[C@@H]1CC	218339980	HZRQLRQPQXQHRS-VWYCJHECSA-N	201.310	1.257	70	20	BDID	
CC[C@H](C(=O)N[C@H](C)CC(C)(C)OC)N(C)C	160894163	QMDRCNKDOAJJAZ-GHMZBOCLSA-N	244.379	1.646	70	20	BDID	
CC[C@@H](N[C@H](C)c1cccc(F)c1F)C(N)=O	159518822	HJFRLQRQTWDVGO-GMSGAONNSA-N	242.269	1.879	70	20	BDID	
Cn1ccc(C(=O)NOCc2ccccc2)n1	218025624	LYNDLOKPUNEMTN-UHFFFAOYSA-N	231.255	1.282	70	20	BDID	
CCC(C)(CC)NC(=O)[C@@H]1CCCNC1	160040737	KDHGSDBFNFEUHV-SNVBAGLBSA-N	212.337	1.681	70	20	BDID	
CCc1ncc(CN[C@H](C)CC(N)=O)s1	160798104	SVXYPGYWZRZPNW-SSDOTTSWSA-N	227.333	1.059	70	20	BDID	
CN(Cc1cnc(N)s1)CC(F)F	161275769	YVCOCDQWGJRMQB-UHFFFAOYSA-N	207.249	1.422	70	20	BDID	
N#C[C@@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1	97956509	GRGSWJAGSVSUTQ-ZETCQYMHSA-N	243.671	1.441	70	20	BDID	
C[C@@H](NC(=O)[C@H]1CCCCO1)c1cccnc1	161058141	SKFLQXJGBNXZPU-ZYHUDNBSSA-N	234.299	1.828	70	20	BDID	
Cc1ccc([C@H](C)CNC(=O)[C@@H]2CCCN2)cc1	161170023	CEDHUJVSIXLBEU-OCCSQVGLSA-N	246.354	1.967	70	20	BDID	
COc1cc(C)nc(NCCc2ccncc2)n1	161098325	HZKARAMADSVZQO-UHFFFAOYSA-N	244.298	1.843	70	20	BDID	
Cc1cccc(NC(=O)[C@@H]2CCCCO2)n1	160089100	QZXFDFABXPZXMA-JTQLQIEISA-N	220.272	1.898	70	20	BDID	
CC1=C(C(=O)NC2=NCCS2)CCCO1	160303350	BASIQIZEYBCFEN-UHFFFAOYSA-N	226.301	1.290	70	20	BDID	
CC1(NC(=O)NCCc2nccs2)CCC1	160332647	YQVNULDNNRPJBM-UHFFFAOYSA-N	239.344	1.927	70	20	BDID	
CCOCCCN1CCC[C@H](NC(=O)CC)C1	159943798	FHVGPFQULJTVBP-LBPRGKRZSA-N	242.363	1.404	70	20	BDID	
CCN(CC)CCCCS(C)(=O)=O	161242203	MVGNERGLCNQXQT-UHFFFAOYSA-N	207.339	1.153	70	20	BDID	
CSCCN(C)C[C@@]1(C)CCNC1	160063802	UFLMQBAVLDLKJQ-JTQLQIEISA-N	202.367	1.281	70	20	BDID	
Cn1ccc2cc(S(=O)(=O)F)ccc21	150242315	OMMGMQLNWNNTLQ-UHFFFAOYSA-N	213.233	1.837	70	20	BDID	
Cc1ccnc(NC(=O)[C@H]2CCCCO2)c1	160081833	RZNYOPBIUJJFPE-SNVBAGLBSA-N	220.272	1.898	70	20	BDID	
C[C@H](N)C(=O)NC[C@@H](C)c1ccc(F)cc1F	159492145	KUZMSDKZPDNUCJ-SFYZADRCSA-N	242.269	1.532	70	20	BDID	
c1ccc(CCN2CCC3(C2)OCCO3)nc1	160618985	AIRGXAJXTJDNHA-UHFFFAOYSA-N	234.299	1.073	70	20	BDID	
C[C@@H](N)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C	159877704	XPAVXCNADTUMIC-DBIOUOCHSA-N	210.321	1.513	70	20	BDID	
CC(C)(C)[C@@H](F)CS(=O)(=O)Cl	257862055	OWGKRBCBSJLGII-YFKPBYRVSA-N	202.678	1.939	70	20	BDID	
CC/C=C(\C)C(=O)N(CC)CC(=O)OC	217128830	ZBBBZOBCZUSDDC-VQHVLOKHSA-N	213.277	1.364	70	20	BDID	
CO[C@@H](C)C(=O)Nc1cccc(CO)c1	161008635	KNFRVCKRTBWPIC-QMMMGPOBSA-N	209.245	1.152	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)CNC(=O)OC	159759843	GSHYAESUQHWQCB-BDAKNGLRSA-N	228.292	1.037	70	20	BDID	
CC[C@@H](C)OCCCS(=O)(=O)Cl	112395424	VNHVIPWLJGYFAU-SSDOTTSWSA-N	214.714	1.760	70	20	BDID	
CCOCC(=O)NC[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	161500061	IDQHPPHYIVQLRX-NFAWXSAZSA-N	245.322	1.725	70	20	BDID	
C[C@@H](CNC(=O)c1ccc(O)cc1O)C1CC1	218762817	SOKKOGGJXGYWGZ-QMMMGPOBSA-N	235.283	1.874	70	20	BDID	
COc1ccc(C(=O)N2CCOCC2)c(F)c1	218433657	ODPUQKLADHAFQV-UHFFFAOYSA-N	239.246	1.307	70	20	BDID	
CC(C)OCCN1CCC[C@H]1C[C@@H](C)O	159362623	GRYPPCGTXSPBKI-NEPJUHHUSA-N	215.337	1.647	70	20	BDID	
COc1c(C)cnc(CS(=O)(=O)Cl)c1C	59109778	ABRXIYPXNCYCST-UHFFFAOYSA-N	249.719	1.776	70	20	BDID	
CC[C@@H](C)c1nnc(S(=O)(=O)Cl)n1C	227589086	JUGBLJQAJHYUIT-RXMQYKEDSA-N	237.712	1.256	70	20	BDID	
CN1CCCC[C@H]1CCS(=O)(=O)Cl	234370467	DJMBYSZAFDWUJJ-QMMMGPOBSA-N	225.741	1.429	70	20	BDID	
C[C@H](N)C(=O)NCC(C)(C)c1cccc(F)c1	161196687	BFICZDSUYDRPAE-VIFPVBQESA-N	238.306	1.567	70	20	BDID	
COC(=O)[C@H](C)SCc1ncc(Cl)n1C	160218561	NHGKRLWSWITBKQ-LURJTMIESA-N	248.735	1.868	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cnns1	159554792	MPRNFHXFPUYMHH-YUMQZZPRSA-N	225.317	1.847	70	20	BDID	
N[C@@H]1CCC[C@H](NC(=O)CCC2CCC2)C1	161270676	AFZIATOHCCGWHP-NEPJUHHUSA-N	224.348	1.953	70	20	BDID	
C[C@@H](NC[C@@H]1CCOC1)c1cscn1	161166512	UJQDFMDQXNGWNS-BDAKNGLRSA-N	212.318	1.830	70	20	BDID	
C[C@@H](CCCO)NC(=O)c1cncs1	217866026	QNVNPPLWMQBNIU-ZETCQYMHSA-N	214.290	1.034	70	20	BDID	
C[C@@H]1CCCN1C(=O)[C@@]1(C)CCCCN1	159578412	AOUPGGFZFMZULA-ZYHUDNBSSA-N	210.321	1.530	70	20	BDID	
C[C@@H](CO)SCC(=O)N1CCCC[C@H]1C	160739650	ASKDQWQHNFAARZ-ZJUUUORDSA-N	231.361	1.501	70	20	BDID	
CCOC[C@H](CC)CS(=O)(=O)Cl	114433368	SUIGTEBWFOSWDD-ZETCQYMHSA-N	214.714	1.618	70	20	BDID	
CC[C@@]1(C)C[C@@H]1C(=O)NCCNC(=O)C1CC1	159780243	GUVFFELQESMAPP-MFKMUULPSA-N	238.331	1.065	70	20	BDID	
C[C@@H](CN)NC1C2CC3CC(C2)CC1C3	216952857	CZVNNSPLXJDQBD-DDNJXNFVSA-N	208.349	1.748	70	20	BDID	
C1CO[C@@H](CSCCN2CCOCC2)C1	160040918	ADXPZDIDUSQXND-LLVKDONJSA-N	231.361	1.231	70	20	BDID	
CNC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1	160201585	WDJUGCQHMVYDHM-LLVKDONJSA-N	236.271	1.606	70	20	BDID	
CC(C)(C)CCCC(=O)N1CC[C@@H](N)C1	160321278	ZWISCRSNDGUHDE-SNVBAGLBSA-N	212.337	1.762	70	20	BDID	
O=C(NCCCC(F)(F)F)N[C@@H]1CCOC1	159418210	GBOUMSBRAHLOGJ-SSDOTTSWSA-N	240.225	1.417	70	20	BDID	
C[C@H]1CC(=O)CC[C@H]1C(=O)NCC(F)(F)F	159691880	LMNHTXJGZHCRPE-POYBYMJQSA-N	237.221	1.670	70	20	BDID	
COc1cc(N[C@@H]2CCOC(C)(C)C2)ncn1	159998530	VYZJQZRXTVZHEH-SECBINFHSA-N	237.303	1.855	70	20	BDID	
CN(CCn1ccnc1)Cc1cscn1	161459397	QUPYWBIXCNJGRG-UHFFFAOYSA-N	222.317	1.472	70	20	BDID	
N[C@@H]1CCC[C@@H](NC(=O)c2ccsc2)C1	161340589	XLXHYJXGSWUNAC-NXEZZACHSA-N	224.329	1.748	70	20	BDID	
O=S(=O)(Cl)CCOc1cccnc1	112155575	FHBVCTIPTVBMSP-UHFFFAOYSA-N	221.665	1.029	70	20	BDID	
COC[C@@H]1CCCN(C(=O)NC2CCC2)C1	217940352	HUWSKEIGICPZOU-SNVBAGLBSA-N	226.320	1.607	70	20	BDID	
O=C([C@@H]1CCOC1)N1CCc2c(F)cccc2C1	161028813	YNJBMKWEPMKVKH-LLVKDONJSA-N	249.285	1.747	70	20	BDID	
CCNC(=O)CN(CC)C(=O)[C@H]1CC1(C)C	160006745	AHOMWLKRRYMRLO-SECBINFHSA-N	226.320	1.017	70	20	BDID	
C[C@@H]1CC[C@@H](CC(=O)NCC(C)(C)N)C1	160055613	BGBGNUADFQMMGZ-NXEZZACHSA-N	212.337	1.666	70	20	BDID	
CCOCCNC(=O)Cc1ccc(CC)cc1	160902726	XJAAKWRZFJNAFP-UHFFFAOYSA-N	235.327	1.944	70	20	BDID	
CC1CCC(N(C)C(=O)N[C@@H]2CCOC2)CC1	159453338	HJGPBSFMPVTMOW-MOENNCHZSA-N	240.347	1.995	70	20	BDID	
CN(Cc1cncn1C)C[C@H]1CCC[C@@H]1O	159479291	KCPBPEUQHOTOTG-PWSUYJOCSA-N	223.320	1.013	70	20	BDID	
C[C@@H](N)C(=O)N(C)[C@@H]1CCc2ccccc2C1	160119361	ONYCJMGVRIGEFX-ZWNOBZJWSA-N	232.327	1.350	70	20	BDID	
CC[C@H](C)N1CCN(C(=O)N2CCCC2)CC1	160518734	IWGQBTBZROPYLB-LBPRGKRZSA-N	239.363	1.618	70	20	BDID	
CCN(CCCO)Cc1cnn(CC)c1	161299405	MTRAAYZVKFLQKN-UHFFFAOYSA-N	211.309	1.107	70	20	BDID	
CN(C)CC(C)(C)CNC(=O)C1(C)CC1	159581246	IXJQWRZQOBHJGL-UHFFFAOYSA-N	212.337	1.491	70	20	BDID	
CC(C)Cn1ncnc1CS[C@H](C)CO	161212661	YTRLKPKSRRGGGU-SECBINFHSA-N	229.349	1.548	70	20	BDID	
CC(C)[C@@H](CO)N[C@H](C)c1cscn1	161219673	ROOMXBJQQTWGRM-RKDXNWHRSA-N	214.334	1.811	70	20	BDID	
CN[C@H]1CCN(C(=O)C[C@@H](C)CC(C)C)C1	160715125	VAWBWRGAHPSNTB-RYUDHWBXSA-N	226.364	1.879	70	20	BDID	
CC(C)n1ccnc1CN1CCOC[C@H]1C	160775314	XBIOGSLPBRGBKN-LLVKDONJSA-N	223.320	1.685	70	20	BDID	
COCCSc1nc(Cl)nc2nc[nH]c12	160189256	DFLLUSOOWDYOTC-UHFFFAOYSA-N	244.707	1.745	70	20	BDID	
CCc1nc(CN2CC[C@H](C)[C@H](C)C2)n[nH]1	160194519	MYOABVXXWRHDPR-VHSXEESVSA-N	222.336	1.845	70	20	BDID	
CS[C@H](C)CC(=O)Nc1nncs1	160242588	OYBLTAKBWQZARU-RXMQYKEDSA-N	217.319	1.618	70	20	BDID	
Cc1cc(NC(=O)C(C)(C)C)c[nH]c1=O	159521932	HPWFAENXFZILCB-UHFFFAOYSA-N	208.261	1.668	70	20	BDID	
O=S(=O)(F)Oc1cccc2c1OCCC2	1887503763	NAWXTNBMHHTNND-UHFFFAOYSA-N	232.232	1.605	70	20	BDID	
Cc1cnccc1CNC1CCOCC1	160598430	GEKJQXVXMZCMQY-UHFFFAOYSA-N	206.289	1.659	70	20	BDID	
C[C@]1(c2ccccc2)CN(C(N)=O)CCO1	160190522	MGUDCTQMTSANAL-GFCCVEGCSA-N	220.272	1.313	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)C1CCC1	160813690	IPUPILAKXICIHC-MRVPVSSYSA-N	213.277	1.244	70	20	BDID	
COC(=O)C1(N(C)CCCCCO)CCCC1	159366122	GHSQDIVBPHTXGR-UHFFFAOYSA-N	243.347	1.567	70	20	BDID	
C[C@H](N[C@H](C)CC(N)=O)c1cscn1	161228281	QXAZRQIXNAEPJU-RQJHMYQMSA-N	213.306	1.058	70	20	BDID	
N[C@@H]1CCC[C@@H](NC(=O)c2ccc[nH]2)C1	161347940	IUUAVTWWGYIFKY-RKDXNWHRSA-N	207.277	1.014	70	20	BDID	
Fc1ncccc1OCc1nnc2n1CCCC2	217323378	SUXOLNRKQYIVGN-UHFFFAOYSA-N	248.261	1.728	70	20	BDID	
CC(C)CS(=O)(=O)NCC1(C2CC2)CC1	160115291	YMDVKODFEZGYED-UHFFFAOYSA-N	231.361	1.752	70	20	BDID	
CC[C@](C)(O)CN1CCC[C@H](CCC(N)=O)C1	160851511	UTAXXWBSUNZJPB-YPMHNXCESA-N	242.363	1.125	70	20	BDID	
C[C@H]1CCCN1c1nc(Cl)nc2nc[nH]c12	160186778	GVEIXEOQOOSMAV-LURJTMIESA-N	237.694	1.995	70	20	BDID	
OB1OCc2cc(Oc3ccccc3)ccc21	195111800	FQDFSPUTOJOLJG-UHFFFAOYSA-N	226.040	1.697	70	20	BDID	
CC(=O)c1ccc(C(=O)N(C)[C@H](C)CO)cc1	160489168	ONRXBNFFZRRGLE-SECBINFHSA-N	235.283	1.342	70	20	BDID	
CC[C@H](C)N(C)CCNC(=O)CCC(C)=O	217918197	SESVOUZSTSPNCK-JTQLQIEISA-N	228.336	1.202	70	20	BDID	
COc1cccnc1NC[C@@H]1CCCO1	160198546	KHNWYDQYZGVLPW-VIFPVBQESA-N	208.261	1.681	70	20	BDID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1cn[nH]c1	159828681	IVYJKUOSBUWLBC-GMSGAONNSA-N	221.260	1.354	70	20	BDID	
O=S(=O)(Cl)c1cc(O)c(F)c(F)c1	238833214	ACHNMMIMIGPYET-UHFFFAOYSA-N	228.603	1.598	70	20	BDID	
CCCCS(=O)(=O)NCC(N)(CC)CC	160145400	WGVFRLTZMKTLPU-UHFFFAOYSA-N	236.381	1.223	70	20	BDID	
Cc1nc(CCNCc2ncc[nH]2)cs1	218206846	JLDYLENGHDWNAD-UHFFFAOYSA-N	222.317	1.507	70	20	BDID	
CN[C@@H]1CCN(C(=O)[C@@H](C)c2cccnc2)C1	160531863	VCDWZDBIZFVJMH-CMPLNLGQSA-N	233.315	1.005	70	20	BDID	
CC(C)CC[C@H](C)NC(=O)N[C@H]1CCOC1	159455200	YMQQIKHOCLCFOP-QWRGUYRKSA-N	228.336	1.899	70	20	BDID	
C[C@@H](N)C(=O)N[C@@H]1CCC[C@H]1c1ccccc1	159720631	KGYYCANFZYVEPO-KGYLQXTDSA-N	232.327	1.786	70	20	BDID	
Cc1cccc([C@@H](C)C(=O)NCC(C)(C)N)c1	159943586	AICZGRMQVJANTD-LLVKDONJSA-N	234.343	1.952	70	20	BDID	
CCC[C@H](CC)NC(=O)N[C@H]1CCOC1	159396344	KVNXRJRKLSMUDO-UWVGGRQHSA-N	214.309	1.653	70	20	BDID	
CCCCOCC(=O)Nc1cccc(F)n1	160570743	BFIARUDPDULDQA-UHFFFAOYSA-N	226.251	1.976	70	20	BDID	
CC(C)(N)C(=O)NCCOC1CCCCCC1	160087174	OKYVVZKRMKRFFD-UHFFFAOYSA-N	242.363	1.579	70	20	BDID	
CNC(=O)c1cc(NCC(C)(C)OC)ccn1	160615044	VAFJLEUHQAVQEL-UHFFFAOYSA-N	237.303	1.278	70	20	BDID	
CC(=O)N1CCCC[C@H]1C(=O)Nc1ccncc1	160555601	PGGXGHFAQKCWNF-LBPRGKRZSA-N	247.298	1.421	70	20	BDID	
Cc1nccc(C(=O)NC2CC=CC2)n1	160778112	JMGJISUZEKZOLO-UHFFFAOYSA-N	203.245	1.233	70	20	BDID	
CCOCCCN1CC[C@H]([C@@H](C)N)C1	159504572	YOEJPNQXGVUCCV-MNOVXSKESA-N	200.326	1.082	70	20	BDID	
Cc1conc1NC(=O)C(=O)N[C@@H](C)C(C)C	159995585	GSEKZCUCUWGDPP-QMMMGPOBSA-N	239.275	1.082	70	20	BDID	
O=S(=O)(F)c1cnc2ccsc2c1	238850630	CDJWYGUMWBPVRH-UHFFFAOYSA-N	217.246	1.955	70	20	BDID	
NCCCNC(=O)c1cc(-c2ccco2)on1	160154695	ACFXVADLHUIOCP-UHFFFAOYSA-N	235.243	1.013	70	20	BDID	
CCN(CCCO)C(=O)[C@H]1CCCS1	160295043	UDXKHJAIHRDMHG-SECBINFHSA-N	217.334	1.113	70	20	BDID	
COc1cc(NC(=O)c2nnc[nH]2)ccc1F	160503891	FKOZMNSOKJLJDW-UHFFFAOYSA-N	236.206	1.205	70	20	BDID	
CC(C)Cn1c(-c2cccnc2)noc1=O	161319800	PECBWQUPGKAWGP-UHFFFAOYSA-N	219.244	1.554	70	20	BDID	
Cc1cc(C[C@H](C)NC(=O)CCC2CC2)n[nH]1	161430838	KWZKKOAXNYBFJM-VIFPVBQESA-N	235.331	1.956	70	20	BDID	
C/C(=C/C(=O)NCCCN)c1ccc(F)cc1	160170552	INLKGLJJKYVGBR-KTKRTIGZSA-N	236.290	1.694	70	20	BDID	
COCCC(=O)N(C)c1ccc2c(c1)OCO2	160277458	HDYVSIHAALHVNX-UHFFFAOYSA-N	237.255	1.415	70	20	BDID	
CCc1nc(CN(C)CCC2CC2)n[nH]1	159426198	BTOQTFIRLGKNJS-UHFFFAOYSA-N	208.309	1.599	70	20	BDID	
CC/C=C(\C)C(=O)N(C)C[C@H](C)C(=O)OC	218170294	LJZKOWHHUAUAMI-PCYYEKQGSA-N	227.304	1.610	70	20	BDID	
COCC[C@@H](C)N1CCCC2(C1)OCCO2	160537924	JMWSTEKPYDTPHV-LLVKDONJSA-N	229.320	1.250	70	20	BDID	
CC[C@H](C)[C@@H](N)C(=O)NCC1(C)CCC1	160830286	ZVXFGZZXKVOEGI-VHSXEESVSA-N	212.337	1.666	70	20	BDID	
CCCCC(=O)N[C@@H](C)Cc1cc(C)[nH]n1	161458961	JFLIPWWYBKWBBU-VIFPVBQESA-N	223.320	1.956	70	20	BDID	
COc1ccc(C(=O)N2CCCC(C)(C)C2)nn1	159998434	XCNJMKMYGDLLAY-UHFFFAOYSA-N	249.314	1.747	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)c1ccn(C)c(=O)c1	159778672	DYQGFIJLMVNDCI-ZYHUDNBSSA-N	248.326	1.694	70	20	BDID	
CCN(CCCN1CCCCC1)CC(C)(C)O	161360107	CBKYNJNKTCMJAT-UHFFFAOYSA-N	242.407	1.955	70	20	BDID	
CC[C@@H](NCCC(C)(C)O)[C@H]1CCCO1	159757423	YCUUVMVEAXARRR-GHMZBOCLSA-N	215.337	1.695	70	20	BDID	
CCN1CCCN(C(=O)NCCSC)CC1	159797178	GVJFGPIUZUXKPL-UHFFFAOYSA-N	245.392	1.087	70	20	BDID	
CSCCN(C)CCNC(C)(C)C	160068555	WLLMIEYJRTUIQL-UHFFFAOYSA-N	204.383	1.669	70	20	BDID	
O=C1NC[C@@H](Cn2cnc3ccccc32)O1	160869457	CSMWPPZUKDZHDN-QMMMGPOBSA-N	217.228	1.145	70	20	BDID	
Cc1nc(CN(C)CCN2CCCC2)cs1	161497000	BWJXVQJPDQXXLF-UHFFFAOYSA-N	239.388	1.979	70	20	BDID	
CONC(=O)NC[C@@H](C)c1nccs1	159653977	UPTWSRORZBSVAD-ZCFIWIBFSA-N	215.278	1.107	70	20	BDID	
CONC(=O)[C@H]1C[C@H]1c1cccc(F)c1F	159851453	XTOYFTRYFCZECJ-YUMQZZPRSA-N	227.210	1.746	70	20	BDID	
C[C@H](N)C(=O)NC[C@@H]1C[C@H]1c1ccccc1	159788323	CNMGKDTZBNTQOM-DLOVCJGASA-N	218.300	1.254	70	20	BDID	
CS[C@H](C)CNC(=S)NC(C)C	159577245	HCDUTZKXMYPAEZ-SSDOTTSWSA-N	206.380	1.610	70	20	BDID	
C[C@H]1CCn2c(S(=O)(=O)Cl)cnc2C1	100468253	MLERAGYCQWHUTO-LURJTMIESA-N	234.708	1.393	70	20	BDID	
Cc1cn(-c2ccccc2Cl)nc1C(N)=O	160166034	PCZOJKQYGKRVRF-UHFFFAOYSA-N	235.674	1.933	70	20	BDID	
CCO[C@@H](C)C(=O)NCCc1cccc(O)c1	160180072	ZGSSZYHEDVHCJB-JTQLQIEISA-N	237.299	1.476	70	20	BDID	
COCC(=O)N[C@@H](C)c1cccc(C)c1	160323963	NAYYVXWQRCKDOW-JTQLQIEISA-N	207.273	1.819	70	20	BDID	
CO[C@H](C)C(=O)N(CC(C)C)C(C)C	160528921	AJPDEDJVFPXTPA-SNVBAGLBSA-N	201.310	1.914	70	20	BDID	
CO[C@H](C)C(=O)NCc1cccc(O)c1	160548954	WJWYLMFUJOOYLB-MRVPVSSYSA-N	209.245	1.043	70	20	BDID	
COc1ccc(CN(C)Cc2cnnn2C)cc1	159850342	AITUZIBYTZRLFS-UHFFFAOYSA-N	246.314	1.456	70	20	BDID	
c1cnn([C@@H]2CCCN(CCOCC3CC3)C2)c1	160250454	FMJROTMMODNWBG-CQSZACIVSA-N	249.358	1.947	70	20	BDID	
COC[C@@H](N[C@@H](CCO)CSC)C(C)C	160341092	FIDKWPIJWFLOGN-WDEREUQCSA-N	235.393	1.361	70	20	BDID	
COC(C)(C)CNC(=O)c1ccc2c(c1)NCC2	160396345	SNWHJIIJWPHOBV-UHFFFAOYSA-N	248.326	1.809	70	20	BDID	
CCCC1(CNC(=O)c2cnn(C)c2)CC1	160460254	NKCPFPWBXJZPJG-UHFFFAOYSA-N	221.304	1.730	70	20	BDID	
NC1(C(=O)NCCc2cc3ccccc3o2)CC1	160485771	GZDUEKSTJSGJNN-UHFFFAOYSA-N	244.294	1.583	70	20	BDID	
CC(=O)c1ccc(C(=O)NC[C@H](C)CCO)cc1	160954386	IPJUPKMIBFLBCL-SNVBAGLBSA-N	249.310	1.638	70	20	BDID	
C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCOC2)[C@@H]1C	159439726	HEKVHGIOVMHAFR-KKOKHZNYSA-N	240.347	1.899	70	20	BDID	
CC(C)n1cccc1C(=O)N[C@@H]1CCC[C@H]1O	159915277	QXOZGJWUCDQGHG-ZYHUDNBSSA-N	236.315	1.712	70	20	BDID	
C[C@@]1(NC(=S)NC2CCCCC2)CCOC1	160041059	QZFXKMASZYOLMD-GFCCVEGCSA-N	242.388	1.962	70	20	BDID	
COC[C@]1(C(=O)NC2CCCCC2)CCNC1	218147447	VCUYFGUCKJRYRF-ZDUSSCGKSA-N	240.347	1.061	70	20	BDID	
CC(C)c1ccc(C(=O)NC2(CO)CC2)cn1	160224819	ARCBTOXWWFEASZ-UHFFFAOYSA-N	234.299	1.460	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)[C@@H](C)C1CC1	160679722	BZVNAUPDTUQELI-GXSJLCMTSA-N	213.321	1.556	70	20	BDID	
C[C@@H]1CN(C(=O)Nc2ccn(C)n2)CC[C@H]1C	160756917	BZEVOYDKRVKMNW-NXEZZACHSA-N	236.319	1.930	70	20	BDID	
CC[C@@H](C)OCC(=O)NC[C@@H](C1CC1)N(C)C	159576663	NNSVDRRVGVFRQY-PWSUYJOCSA-N	242.363	1.258	70	20	BDID	
O=S(=O)(F)C[C@@H]1CC[C@H]2C[C@H]1CO2	1887473489	WVSHNCLJZHGPJW-FXQIFTODSA-N	208.254	1.101	70	20	BDID	
CC(C)C[C@H]1CCN(C(=O)[C@@H]2CSCN2)C1	159609852	KILCMSUZEPJBHF-MNOVXSKESA-N	242.388	1.544	70	20	BDID	
CC[C@H](C)OCCCS(=O)(=O)Cl	112395426	VNHVIPWLJGYFAU-ZETCQYMHSA-N	214.714	1.760	70	20	BDID	
C[C@H](O)CNCC(F)(F)c1ccccc1	161168253	HWBDBWFRAAXHSJ-VIFPVBQESA-N	215.243	1.749	70	20	BDID	
CC(C)NS(=O)(=O)N[C@@H]1CC[C@H](C)C1	160464566	XBPKBTFRHPEIGW-DTWKUNHWSA-N	220.338	1.007	70	20	BDID	
CN[C@@H]1CCN(C(=O)C[C@@H](C)c2ccncc2)C1	160773000	IDEIJJSBAWVCJY-DGCLKSJQSA-N	247.342	1.396	70	20	BDID	
CS[C@H](C)CNC(=O)NC1CCC1	159403936	XDLNGEQBOBPCTH-SSDOTTSWSA-N	202.323	1.590	70	20	BDID	
O=C(OCCO[C@@H]1CCCCO1)c1ccco1	218160592	WVWGSNOJRUXXAE-LLVKDONJSA-N	240.255	1.980	70	20	BDID	
COC[C@H](C)NC(=S)N1CC[C@H](C)[C@@H](C)C1	160870094	XNEHOEMBANQVMP-DCAQKATOSA-N	244.404	1.874	70	20	BDID	
COC[C@@H](C)NC(=S)N1C[C@@H](C)C[C@@H](C)C1	217758630	AYRFJRXFWYMBHJ-OUAUKWLOSA-N	244.404	1.874	70	20	BDID	
CC[C@H](C)C(=O)NC[C@](C)(O)CSC	217634054	ANMSJBXHKNVVNJ-WPRPVWTQSA-N	219.350	1.263	70	20	BDID	
CCC[C@H](C)N1CCC(OCCO)CC1	218595967	MDJMSATXMBAFJO-NSHDSACASA-N	215.337	1.648	70	20	BDID	
CCNC(=O)N(C)CC1CCOCC1	161051394	OKRQBEUZHLMQBY-UHFFFAOYSA-N	200.282	1.074	70	20	BDID	
CCCC[C@@H](COC)NC(=O)[C@@H]1CCCNC1	161166102	XJORTUXKJKUFMM-NEPJUHHUSA-N	242.363	1.307	70	20	BDID	
Cc1cccnc1Cn1ccsc1=O	161487215	MWVDQTNQHCQSDI-UHFFFAOYSA-N	206.270	1.662	70	20	BDID	
CCCNC(=O)CNc1ncccc1OC	160210031	HEJNDFWUOSUUAX-UHFFFAOYSA-N	223.276	1.028	70	20	BDID	
CNC[C@H](C)C(=O)NCCc1cc(C)cc(C)c1	160590742	IZAAUOAPCBHRIP-ZDUSSCGKSA-N	248.370	1.818	70	20	BDID	
CC(C)=CC(=O)NOCc1cccnc1	160778158	LINVZFIFDWLVCE-UHFFFAOYSA-N	206.245	1.596	70	20	BDID	
C[C@@H](Cc1ccccc1F)NC[C@@H](C)N	218300383	CGYUQCCQTUIIEZ-ZJUUUORDSA-N	210.296	1.694	70	20	BDID	
C[C@H](O)CCNC(=O)/C=C\c1ccco1	218281885	QXFCOLBRWZIBPA-WBSSQXGSSA-N	209.245	1.180	70	20	BDID	
C[C@H](C(=O)NC1CC1)N(C)Cc1cccnc1	159388896	AXFWRALREHSEPO-SNVBAGLBSA-N	233.315	1.181	70	20	BDID	
CC[C@@H](CSC)NCc1cnccn1	217328555	LETSJXNYWJFKCR-VIFPVBQESA-N	211.334	1.708	70	20	BDID	
Cc1ccc(=O)n(Cc2nccs2)n1	161320475	QJLFQWOPWRQEPM-UHFFFAOYSA-N	207.258	1.057	70	20	BDID	
CC1(C)C[C@@H]1NC(=O)c1ccncc1F	161428086	JDOOBZVBWNSLAU-VIFPVBQESA-N	208.236	1.749	70	20	BDID	
CC1CC(NC(=O)c2cccc(F)n2)C1	160740882	QHTJBOVBWVJDET-UHFFFAOYSA-N	208.236	1.749	70	20	BDID	
CC1=C(C(=O)Nc2ccn(C)n2)CCCO1	160764256	GSOVEIUCDRPCQW-UHFFFAOYSA-N	221.260	1.443	70	20	BDID	
CCc1nc(CC)n(Cc2nccs2)n1	161380012	KWVTUEZBILAELM-UHFFFAOYSA-N	222.317	1.908	70	20	BDID	
CCCC[C@H](COC)NC(=O)[C@@H](N)CC	161165951	NLSYJCVAUJGSRH-ZJUUUORDSA-N	216.325	1.045	70	20	BDID	
CCOC(=O)[C@@H](CC)C(=O)O[C@@H](C)CC	218479253	BKKVAPLCVHMLDM-DTWKUNHWSA-N	216.277	1.917	70	20	BDID	
CC(C)[C@H](CCO)NC(=O)C(C)(C)C	160650708	GLSHSNZJZYCDKG-VIFPVBQESA-N	201.310	1.556	70	20	BDID	
Cc1cc2c(cc1C)O[C@H](C(=O)NCCCN)C2	160176569	ZZAGEWXHVDHRML-ZDUSSCGKSA-N	248.326	1.072	70	20	BDID	
CCOCCCN1CCN(CC2CC2)CC1	159406594	RCSSDFPTRBUKPV-UHFFFAOYSA-N	226.364	1.441	70	20	BDID	
CC(C)[C@@H]1C[C@@H](S(=O)(=O)Cl)CCO1	112132208	OWBFSTPOQHSMPP-YUMQZZPRSA-N	226.725	1.759	70	20	BDID	
O=C(NC1(CO)CCC1)[C@@H]1CC=CCC1	161089775	XPYYCVFTXXFNBE-SNVBAGLBSA-N	209.289	1.374	70	20	BDID	
CCCCSCCC(=O)N1CC(O)C1	161484204	JWIBPXTUWWSWQI-UHFFFAOYSA-N	217.334	1.113	70	20	BDID	
CCCCSCCC(=O)NC[C@H](C)CO	160481210	YRZLEYXHLJLDIP-JTQLQIEISA-N	233.377	1.654	70	20	BDID	
CCc1ccc(CC(=O)NCCC(=O)OC)cc1	159833357	WGWAXBACCFVNBP-UHFFFAOYSA-N	249.310	1.471	70	20	BDID	
CC(C)c1noc([C@@H](C)N(C)C[C@@H](C)O)n1	159530785	ZLQFKNNUQLNWBJ-RKDXNWHRSA-N	227.308	1.567	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(=O)n(C)c1	159757781	VJFJIMSOWSAJOA-ZYHUDNBSSA-N	248.326	1.694	70	20	BDID	
C[C@@H]1NCCC[C@@H]1NC(=O)c1cscn1	160538081	VJBPNENHPSOACP-YUMQZZPRSA-N	225.317	1.013	70	20	BDID	
CNCCNCc1ccc(Br)cc1	161264694	JXYUUSNSCGHBMU-UHFFFAOYSA-N	243.148	1.758	70	20	BDID	
C[C@H](Nc1ccc2nnnn2n1)C1CCC1	160059371	KJNKPYHVGSNEMY-ZETCQYMHSA-N	218.264	1.120	70	20	BDID	
CN(C)c1ccc(CN2CCCC2)cn1	159663517	UNPRCVKFTAHRPE-UHFFFAOYSA-N	205.305	1.743	70	20	BDID	
CCOC(C)(C)CNc1ncnc2nc[nH]c12	159507592	GNEGKJDTYGWASA-UHFFFAOYSA-N	235.291	1.580	70	20	BDID	
CS[C@H](C)CC(=O)N1CCSCC1	159953353	STAZQYROQMEYGR-MRVPVSSYSA-N	219.375	1.703	70	20	BDID	
N[C@@H]1CCC[C@H](NC(=O)c2cccnc2)C1	161005729	PUHCDSIYYROOJA-MNOVXSKESA-N	219.288	1.081	70	20	BDID	
CCCCS(=O)(=O)N[C@@H](CC)COC	160335857	ROAIMSHZYOMJOG-VIFPVBQESA-N	223.338	1.131	70	20	BDID	
CC1CCN(C(=O)N2C[C@@H]3CC[C@H](C2)O3)CC1	160653446	KROOZTIOGLJYQM-TXEJJXNPSA-N	238.331	1.702	70	20	BDID	
CC1(O)CN(C/C=C\c2ccccc2)C1	217472554	FJVDMCYYMWFPMZ-YVMONPNESA-N	203.285	1.766	70	20	BDID	
CC(C)[C@@H](CCO)NC(=O)c1cccs1	160789387	HDUCDOVNCOZIEN-SECBINFHSA-N	227.329	1.885	70	20	BDID	
C[C@H](NC[C@H](O)C(F)F)c1cscn1	218266230	KIVSHCATINMKRB-FSPLSTOPSA-N	222.260	1.420	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1cccs1	160635144	CLXDQAPCXADVLM-QMMMGPOBSA-N	241.312	1.820	70	20	BDID	
Cc1noc([C@H]2COCCN2C2CCCC2)n1	160824027	RIZJZEOSJXXAMO-LLVKDONJSA-N	237.303	1.694	70	20	BDID	
CNC(=O)c1ccc(N)c(OC(F)(F)F)c1	218507147	ILDFIYORICPRIV-UHFFFAOYSA-N	234.177	1.527	70	20	BDID	
CNCCNC(=O)c1ccc(F)cc1C	159878025	MZSQGNVOTQYWIA-UHFFFAOYSA-N	210.252	1.083	70	20	BDID	
CC(C)OC(=O)CN1CC[C@@H](C)[C@@H](C)C1	160978243	JBNRRNJZIGBBAL-MNOVXSKESA-N	213.321	1.916	70	20	BDID	
C[C@@H](CCO)N[C@H](C)c1cscn1	161205564	AXDCVNDPQHGYDX-JGVFFNPUSA-N	200.307	1.565	70	20	BDID	
CO[C@H]1c2ccccc2C[C@@H]1S(=O)(=O)Cl	299805259	GKKJYTPZEQJRGA-UWVGGRQHSA-N	246.715	1.867	70	20	BDID	
CCCC1(CNC(=O)c2ccc(=O)[nH]n2)CC1	160440977	RYVBKCHQUWDVCC-UHFFFAOYSA-N	235.287	1.080	70	20	BDID	
CN(Cc1nncn1C)c1ccc(F)c(F)c1	160837699	HNWYHTSXABBXEZ-UHFFFAOYSA-N	238.241	1.730	70	20	BDID	
CCOC(=O)CN1CCc2c(C)cccc21	159789958	COTICXPNXOEZLS-UHFFFAOYSA-N	219.284	1.921	70	20	BDID	
Cc1nc(CN(C)Cc2nncn2C)cs1	160861823	ZTSMIDQZNWUUSA-UHFFFAOYSA-N	237.332	1.212	70	20	BDID	
CC(C)C[C@H](C)NC(=O)N[C@@H]1CCOC1	159430603	HRIGASJDMKZSTG-VHSXEESVSA-N	214.309	1.509	70	20	BDID	
CC1(C)[C@H]2CN(S(=O)(=O)Cl)C[C@@H]21	306987670	ZINVUBFAPTZSLR-WDSKDSINSA-N	209.698	1.058	70	20	BDID	
Cc1cccc(C)c1CCNC(=O)[C@H](N)C(C)C	160212830	LFKAURSICIUMKO-CQSZACIVSA-N	248.370	1.945	70	20	BDID	
CCOCC(=O)N(C)c1ccc2c(c1)OCO2	160265727	CCVVEWMCEBJJOG-UHFFFAOYSA-N	237.255	1.415	70	20	BDID	
CS[C@H](C)CC(=O)NC[C@@H](C1CC1)N(C)C	160449222	HEKFTPYMTKUUAI-KOLCDFICSA-N	244.404	1.584	70	20	BDID	
CC(C)Cc1noc(CS[C@@H](C)CO)n1	160760527	GFXVJYTVGIQUOA-QMMMGPOBSA-N	230.333	1.882	70	20	BDID	
C[C@@H]1CCCc2ncc(S(=O)(=O)Cl)n21	100468238	HIQPRDRUSZNRHG-ZCFIWIBFSA-N	234.708	1.708	70	20	BDID	
C[C@@H](O)CCc1ccc(OS(=O)(=O)F)cc1	1887484543	NUDIHGFOVWZDFV-MRVPVSSYSA-N	248.275	1.593	70	20	BDID	
CCN(CCC(=O)OC)C(=O)[C@@H]1CC1(C)C	159960887	WPDILEPDCBAAOS-VIFPVBQESA-N	227.304	1.444	70	20	BDID	
COC(C)(C)C[C@H](C)S(=O)(=O)Cl	88251446	YESGKSGIVQZODS-LURJTMIESA-N	214.714	1.759	70	20	BDID	
CC(C)c1csc(CNC(=O)CN(C)C)n1	160574001	PBTHDKGLUDXGQE-UHFFFAOYSA-N	241.360	1.444	70	20	BDID	
C[C@@H]1Cc2ccccc2N1C(=O)N[C@H]1CCOC1	159465616	UCGYKTJYBVNZLB-PWSUYJOCSA-N	246.310	1.936	70	20	BDID	
CC1(NC(=O)N[C@H]2CCOC2)CCCC1	159538549	QPIHAZOHIFMYDF-VIFPVBQESA-N	212.293	1.407	70	20	BDID	
CCSCCN1CC[C@H](N2CCCC2)C1	160335881	IDBUHIDLIZUEDF-LBPRGKRZSA-N	228.405	1.910	70	20	BDID	
C[C@H](N)CC(=O)N(C)[C@@H]1CCC[C@@H](C)C1	218598737	MBNCZEFDKLKYNY-OUAUKWLOSA-N	212.337	1.761	70	20	BDID	
O=C(N[C@@H]1CCOC1)N1CC[C@@H]2CCCC[C@@H]21	159474265	VGLJEHNCNCBJKL-TUAOUCFPSA-N	238.331	1.749	70	20	BDID	
O=C(C(=O)N1CCCC1)c1ccc(O)cc1	217344464	DOIHFYMJQZGGKL-UHFFFAOYSA-N	219.240	1.197	70	20	BDID	
CC[C@@H](N)C(=O)Nc1c(C)cccc1F	160322540	RUNODPQSSKGNMP-SECBINFHSA-N	210.252	1.810	70	20	BDID	
O=C([C@@H]1CCCN1)N1CCC2(CCC2)C1	160622605	ZQTHVHZTSRJSMM-JTQLQIEISA-N	208.305	1.141	70	20	BDID	
O=S(=O)(Cl)c1cc(O)ccc1F	104536822	ZNGMBIAYGJVZBH-UHFFFAOYSA-N	210.613	1.459	70	20	BDID	
CC[C@H]1C[C@H](S(=O)(=O)Cl)CCO1	112132169	CFOTZHJKEODDHJ-NKWVEPMBSA-N	212.698	1.513	70	20	BDID	
Cc1ccc(CN2CCNC(=O)[C@H]2C(C)C)nc1	160115794	KVHIMFKKNYCZFJ-CYBMUJFWSA-N	247.342	1.346	70	20	BDID	
CCc1nc(CN(C)CCCn2ccnc2)n[nH]1	160152681	AGIYBLCVVYGTSZ-UHFFFAOYSA-N	248.334	1.086	70	20	BDID	
CC1CCN(C(=O)NC2(C)CCOCC2)CC1	160833218	FJTLOISWDOEADE-UHFFFAOYSA-N	240.347	1.997	70	20	BDID	
CC(=O)NCCNC(=O)c1ccc(C(C)C)nc1	160990436	JMTTWQPQZUGQRP-UHFFFAOYSA-N	249.314	1.071	70	20	BDID	
CCCSCC(=O)N(CC(N)=O)CC(C)C	159696003	KQPFPQZSEUZQBX-UHFFFAOYSA-N	246.376	1.100	70	20	BDID	
C[C@@H]1C(=O)NCCN1CCC1CCCC1	160354825	WULJQHRYHFIKRW-SNVBAGLBSA-N	210.321	1.387	70	20	BDID	
C[C@@H]1CN(Cc2nncn2C)c2ccccc21	160791735	DODKZGCHDXDICY-SNVBAGLBSA-N	228.299	1.939	70	20	BDID	
CN(CCCN1CCCC1)C[C@@H]1CCCCO1	161448976	AUFGGUQDFAJHDP-AWEZNQCLSA-N	240.391	1.973	70	20	BDID	
Cc1cccc(CNC(=O)N(C)CCO)c1	217314514	ZGNOFRSINJEOAM-UHFFFAOYSA-N	222.288	1.129	70	20	BDID	
CCC[C@H](O)CNCc1ccncc1Cl	217902882	DDUURALHEATISC-JTQLQIEISA-N	228.723	1.986	70	20	BDID	
CC(C)C(=O)Nc1cccc(OCCO)c1	160002574	XRCOOUBHZMOEND-UHFFFAOYSA-N	223.272	1.652	70	20	BDID	
CCC(CC)n1nccc1C(=O)NCCOC	160551241	TXLUFKZLJIZIHU-UHFFFAOYSA-N	239.319	1.620	70	20	BDID	
CNC(=O)[C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C	159408737	VELXQBSBYVBFLL-RKDXNWHRSA-N	242.319	1.426	70	20	BDID	
CCCC[C@H](SCC(=O)OC)C(=O)OC	160592972	HWKBTJYHXPGGBB-QMMMGPOBSA-N	234.317	1.624	70	20	BDID	
CCCN(C)C(=O)Nc1cnc(CC)nc1	161163139	BPAPVRIWLDLRLA-UHFFFAOYSA-N	222.292	1.913	70	20	BDID	
CCNCCNCc1ccc(F)c(F)c1	161313313	JCQICEDRUONLEX-UHFFFAOYSA-N	214.259	1.664	70	20	BDID	
CC[C@H](C(=O)N[C@@H](C)C1CCOCC1)N(C)C	160760280	LGBLAUMPKCURMP-CMPLNLGQSA-N	242.363	1.258	70	20	BDID	
C[C@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1	159713328	KGYYCANFZYVEPO-CYZMBNFOSA-N	232.327	1.786	70	20	BDID	
CSCCN(C)C[C@H]1CCCNC1	160042478	RKUIUNXEHOAEFX-JTQLQIEISA-N	202.367	1.281	70	20	BDID	
CC[C@@H]1CN(S(=O)(=O)Cl)C[C@@H](CC)O1	307338652	UXNIMNPEMSJYNX-HTQZYQBOSA-N	241.740	1.359	70	20	BDID	
C[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1	161053914	AEPNQQKKXHBOIZ-MRVWCRGKSA-N	246.354	1.861	70	20	BDID	
Cc1cccc2c1CCN2Cc1nncn1C	160873876	FHFVMVWCCQDERN-UHFFFAOYSA-N	228.299	1.686	70	20	BDID	
CNc1ccc(C(=O)NCc2ccoc2)cn1	159454287	RJFMDEXRUCVQDP-UHFFFAOYSA-N	231.255	1.646	70	20	BDID	
CCCC[C@@H](COC)NC(=O)[C@@H](N)CC	161165830	NLSYJCVAUJGSRH-UWVGGRQHSA-N	216.325	1.045	70	20	BDID	
CC(C)C1(O)CN(C(=O)/C=C\c2cccnc2)C1	216965942	KDFVXQUKZKJXGX-WAYWQWQTSA-N	246.310	1.324	70	20	BDID	
CS[C@H](C)CNC(=O)N1CCCCC1	159491195	VETCTYMPICGFCP-SECBINFHSA-N	216.350	1.933	70	20	BDID	
C[C@H](c1nnc(S(=O)(=O)Cl)n1C)C1CC1	227589515	XYEYULLPHIPAQW-YFKPBYRVSA-N	249.723	1.256	70	20	BDID	
CCCC[C@@H](COC)NC(=O)N[C@@H](C)CCO	160411014	FHLQKVJBKRKNLA-QWRGUYRKSA-N	246.351	1.262	70	20	BDID	
Cc1cnc(NCCC2CCN(C)CC2)nc1	160766511	YVAGFMNWZFFFKZ-UHFFFAOYSA-N	234.347	1.929	70	20	BDID	
COC[C@@H](NC(=O)NC[C@H](C)SC)C1CC1	160945481	DQHPPRBETWYRQH-WCBMZHEXSA-N	246.376	1.462	70	20	BDID	
CCCC[C@H](COC)NC(=O)[C@@H]1CCC[C@@H]1N	159648713	APZSSACNNQMMAA-UTUOFQBUSA-N	242.363	1.435	70	20	BDID	
Cc1cc(C(=O)N2CCOCC2)cc(C)c1F	160967828	GGOGGPHOTYCSST-UHFFFAOYSA-N	237.274	1.915	70	20	BDID	
CCNCCNCc1ccccc1OC	161286710	FNTDFLYGMBBZTG-UHFFFAOYSA-N	208.305	1.394	70	20	BDID	
COc1ccc([C@H](NC(N)=O)C(F)(F)F)cc1	161498282	XVMXRHCMHIBBLC-QMMMGPOBSA-N	248.204	1.967	70	20	BDID	
Cc1nn(C)cc1CNc1ccccn1	160468577	JQHJUWDJLQHAKY-UHFFFAOYSA-N	202.261	1.736	70	20	BDID	
CCS(=O)(=O)N[C@H](C)Cc1c(C)noc1C	159879202	KQNKVCVNTDXYOF-SSDOTTSWSA-N	246.332	1.162	70	20	BDID	
CC(C)C[C@@H]1CCN(C(=O)[C@@H]2CCCNC2)C1	159612244	UUXTUFFNNSQCCL-QWHCGFSZSA-N	238.375	1.881	70	20	BDID	
O=C(NCCCCCO)NCC1CCCC1	217570838	FCTPEANWGIXQFJ-UHFFFAOYSA-N	228.336	1.638	70	20	BDID	
C[C@@H](C(=O)N1CC[C@H](CCN)C1)C1CC1	159986605	WKZGXGZUDNKVOY-ZJUUUORDSA-N	210.321	1.230	70	20	BDID	
CCN(C)C(=O)N1C[C@H]2CCCCN2C[C@@H]1C	160679665	YOJCELQVIKDIPR-NWDGAFQWSA-N	239.363	1.617	70	20	BDID	
CC[C@H](C)[C@@H](N)C(=O)NCCC(C)(C)C	160913767	HNJYSHSDPCJFEJ-VHSXEESVSA-N	214.353	1.912	70	20	BDID	
Cc1ccncc1CS(=O)(=O)Cl	135523296	IGZHEHSQPIJCTK-UHFFFAOYSA-N	205.666	1.459	70	20	BDID	
Cc1cc(C[C@@H](C)NC(=O)C2(C)CC2)n[nH]1	161110724	DYMIITXKZIXFTF-MRVPVSSYSA-N	221.304	1.565	70	20	BDID	
N=C(N)NCC1(c2ccccc2)CCC1	161484582	ZIQBXPQYEZZDKA-UHFFFAOYSA-N	203.289	1.591	70	20	BDID	
CC[C@@H](NC(=O)COC)c1c(C)noc1C	160058254	IZMSXVOOUAEWCJ-SECBINFHSA-N	226.276	1.505	70	20	BDID	
CC(C)CCO[C@@H](C)C(=O)N1CCC[C@@H]1CN	160286803	TVTMPXATASZSOW-NWDGAFQWSA-N	242.363	1.387	70	20	BDID	
Cc1nccn1CCCN(C)C(=O)NC1CC1	160903546	OGZUPYDDGRJVTA-UHFFFAOYSA-N	236.319	1.385	70	20	BDID	
C[C@H]1COCCN1Cc1cc(O)cc(F)c1	159819677	VYTCEOIVYBMULQ-VIFPVBQESA-N	225.263	1.752	70	20	BDID	
CCC[C@@H](N)C(=O)NC[C@@H]1CCc2ccccc21	159732220	OHTASXJYVDQDRZ-GXTWGEPZSA-N	246.354	1.960	70	20	BDID	
CCc1nc(CN(C)[C@@H]2CCSC2)n[nH]1	159547384	KTTPRXPGRBZAQV-MRVPVSSYSA-N	226.349	1.304	70	20	BDID	
CCOc1ccccc1N(C)CC(=O)N(C)C	159361910	CFBSGGVCKUMHFN-UHFFFAOYSA-N	236.315	1.610	70	20	BDID	
N#Cc1ccc(Cl)cc1OS(=O)(=O)F	1887483032	UKJLSXHNBKXWRG-UHFFFAOYSA-N	235.623	1.805	70	20	BDID	
O[C@H]1CCCN(Cc2csc(C3CC3)n2)C1	161267279	SPKKKKPVLSNIBX-NSHDSACASA-N	238.356	1.977	70	20	BDID	
CCC(CC)C(=O)NCC1=CCNCC1	160510597	TULPGYXMSRWEIO-UHFFFAOYSA-N	210.321	1.459	70	20	BDID	
CC1CCN(CCS(=O)(=O)Cl)CC1	307195599	MMAYWPHNUQEGRC-UHFFFAOYSA-N	225.741	1.287	70	20	BDID	
Cc1ccc2c(c1)C[C@H](CS(=O)(=O)Cl)O2	117404742	BPNAHPOEAJBUDH-SECBINFHSA-N	246.715	1.867	70	20	BDID	
CC[C@@H](NC(=O)[C@H](C)N)c1ccc(F)cc1F	161207706	FWRSEFDNPCSJAO-WRWORJQWSA-N	242.269	1.879	70	20	BDID	
CCCCCOCC(=O)N[C@@H](CO)CC(C)C	161278350	RIEXIPOLPFOYBA-GFCCVEGCSA-N	245.363	1.716	70	20	BDID	
Cc1ccc(CN2CCC[C@@H]2C(N)=O)cc1F	160368638	YNIGMKHQYISSIA-GFCCVEGCSA-N	236.290	1.584	70	20	BDID	
Cn1cnnc1CN1CCCc2cccc(F)c21	160747054	QVJUCPAXGPZAFC-UHFFFAOYSA-N	246.289	1.907	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)c1csnn1	159618794	CIIBPBWQNQICHJ-HTQZYQBOSA-N	225.317	1.847	70	20	BDID	
CN(CCO)C(=O)NCCc1cccc(F)c1	217442544	NZGQSOUMLOXQGL-UHFFFAOYSA-N	240.278	1.002	70	20	BDID	
CC(C)(CO)CCCNC(=O)[C@H]1CCCS1	160368880	NIMAGORZKXNLOX-SNVBAGLBSA-N	245.388	1.797	70	20	BDID	
CCc1nnc(CN(CC)Cc2cnn(C)c2)o1	161109804	GPMNCZYUURUZSC-UHFFFAOYSA-N	249.318	1.388	70	20	BDID	
O=C(Cc1c[nH]c2cc(F)ccc12)N1CC(O)C1	161403990	FACFCPBQNHZLBW-UHFFFAOYSA-N	248.257	1.053	70	20	BDID	
CCCCCNC(=O)c1cc(C)ncn1	161134611	XARIDXMVNCPDAI-UHFFFAOYSA-N	207.277	1.705	70	20	BDID	
CS[C@@H](C)CNC(=O)NC[C@]1(C)CCCO1	160065439	NTPOZNNBTDMYBE-ONGXEEELSA-N	246.376	1.606	70	20	BDID	
Cc1cnc(NC(=O)[C@H]2CCCCO2)s1	159706747	MQHXWRDMOWJGPG-MRVPVSSYSA-N	226.301	1.959	70	20	BDID	
CCCNC(=O)CNc1ccc(F)c(OC)c1	160250589	DBNSWADOLIQHFN-UHFFFAOYSA-N	240.278	1.772	70	20	BDID	
COC[C@@H](N[C@H](CCO)CSC)C(C)C	160341370	FIDKWPIJWFLOGN-GHMZBOCLSA-N	235.393	1.361	70	20	BDID	
CSCCNC(=O)N(C)C[C@H]1CCC[C@@H]1O	160482869	YUQIRJFFQWKYMA-ZJUUUORDSA-N	246.376	1.152	70	20	BDID	
Cc1ccsc1C(=O)NC1(CO)CCC1	161119208	YSQGTAVTJWDJNE-UHFFFAOYSA-N	225.313	1.701	70	20	BDID	
O=S(=O)(Cl)c1scnc1CCl	521401291	WTBRPUFEWMVKDK-UHFFFAOYSA-N	232.113	1.809	70	20	BDID	
COc1ccnc(NCCc2cccnc2)n1	161087488	GBJTVCGDANBYAC-UHFFFAOYSA-N	230.271	1.535	70	20	BDID	
C[C@@H](O)C[C@@H]1CCCN1C(=O)Nc1cccnc1	160823649	ICIZPFNCZKKPKB-PWSUYJOCSA-N	249.314	1.849	70	20	BDID	
O=S(=O)(Cl)Cc1ccc2c(c1)CCOC2	217828506	LCWIFORZNSRHFL-UHFFFAOYSA-N	246.715	1.828	70	20	BDID	
Cc1ccc(F)c(S(=O)(=O)Cl)c1O	238851136	FHUNXFCUKIHSHS-UHFFFAOYSA-N	224.640	1.767	70	20	BDID	
C[C@]1(O)CCCN(C(=O)CC(F)(F)F)C1	161034668	UPFSOZLTVJFSEM-QMMMGPOBSA-N	225.210	1.312	70	20	BDID	
C[C@H]1CCC[C@@H](C(=O)Nc2nnc[nH]2)C1	161022584	WWMCEJMTHHDUOX-JGVFFNPUSA-N	208.265	1.570	70	20	BDID	
C[C@@H](Sc1ccccc1)C(=O)NCCCN	160116027	VJWAREQJJWGEKE-SNVBAGLBSA-N	238.356	1.632	70	20	BDID	
COc1ccc(C(=O)N2CCC[C@H]2CN)c(C)c1	160313139	UPVACZPLWDZZKU-NSHDSACASA-N	248.326	1.567	70	20	BDID	
Cc1cc(S(=O)(=O)Cl)cc(C)c1O	59270514	MDLFBQPKPHXUGF-UHFFFAOYSA-N	220.677	1.937	70	20	BDID	
C/C=C/C=C/C(=O)NCC1=CCNCC1	160516019	ALKZOUTUPHDCDV-MQQKCMAXSA-N	206.289	1.155	70	20	BDID	
CCOc1ccc(NC(=O)NCCCO)cc1	217281547	UVGAXBJTCTVOFL-UHFFFAOYSA-N	238.287	1.589	70	20	BDID	
CCc1ncnc(NC[C@H](C)CO)c1F	217987640	GOUDLDNXUWUJLQ-ZETCQYMHSA-N	213.256	1.218	70	20	BDID	
CCS(=O)(=O)N1CC[C@H](C)C[C@H](C)C1	159660279	ZXFOSNJNOPYFRN-UWVGGRQHSA-N	219.350	1.704	70	20	BDID	
Cc1cc(C(=O)Nc2nccs2)ncn1	161321411	UQRKFKHLJQPBLX-UHFFFAOYSA-N	220.257	1.494	70	20	BDID	
Cc1ccnc(O)c1C(=O)NCCc1ccco1	160014833	POBDIZYNNFLIIR-UHFFFAOYSA-N	246.266	1.661	70	20	BDID	
CC(C)(C)c1noc(OCCn2ccnc2)n1	160136585	WPTHAYMBYJVULM-UHFFFAOYSA-N	236.275	1.643	70	20	BDID	
COCCN(C)c1nc(Cl)nc2nc[nH]c12	160187378	IZWXVLWUGFXPOD-UHFFFAOYSA-N	241.682	1.089	70	20	BDID	
CCCCCC(=O)N(CC)CCCO	160302200	WKEAADYNHMWPCN-UHFFFAOYSA-N	201.310	1.798	70	20	BDID	
CC(C)(C)CC(=O)NCC1=CCNCC1	160510454	BQGXEFYJJVVVHE-UHFFFAOYSA-N	210.321	1.459	70	20	BDID	
C[C@@H](CO)SCC(=O)c1ccn(C)c1	160723180	IRGZATJZKONVBN-QMMMGPOBSA-N	213.302	1.322	70	20	BDID	
CCOCCCn1cnc(C(C)C)cc1=O	160807929	MCIOMNAIWQDVHL-UHFFFAOYSA-N	224.304	1.793	70	20	BDID	
CC(C)CN(CC(N)=O)C(=O)C[C@H]1C=CCC1	159776333	LQUYUFHBGQONBV-NSHDSACASA-N	238.331	1.313	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)c1ccn(C)c(=O)c1	159778531	DYQGFIJLMVNDCI-JQWIXIFHSA-N	248.326	1.694	70	20	BDID	
O=S(=O)(NCCF)c1ccc(Cl)cc1	217513502	NSAONTROPNDQCD-UHFFFAOYSA-N	237.683	1.588	70	20	BDID	
CCCN1CCCN(C(=O)[C@H](C)SC)CC1	160394992	ZQEUYYGICKRNGI-NSHDSACASA-N	244.404	1.682	70	20	BDID	
Cc1nc(CCNCc2cc[nH]n2)cs1	218098557	AONBXIRXSPUWMM-UHFFFAOYSA-N	222.317	1.507	70	20	BDID	
O=S(=O)(Cl)C[C@H]1Cc2ccccc2O1	117380674	KXTBDGYPDCWBGB-MRVPVSSYSA-N	232.688	1.559	70	20	BDID	
COCCCOC1CN(C(=O)NC(C)(C)C)C1	161103416	FVMKOKYUYOVVFD-UHFFFAOYSA-N	244.335	1.232	70	20	BDID	
C[C@@H]1CCC[C@H](N(C)C(=O)N[C@@H]2CCOC2)C1	159449064	JVLAPDLSLMIXCP-UTUOFQBUSA-N	240.347	1.995	70	20	BDID	
COc1ccc2c(c1)[C@H](NCCO)CCCO2	159678494	IOTWGWHWNGEYBQ-GFCCVEGCSA-N	237.299	1.491	70	20	BDID	
CC[C@H](CSC)NCc1cc(C)nn1C	217330743	RMHGUWWDLNIDHE-SNVBAGLBSA-N	227.377	1.960	70	20	BDID	
CCN(C[C@@H]1CCCO1)C[C@H](C)C(=O)OC	218457361	BMSMAQOYCKDVBN-QWRGUYRKSA-N	229.320	1.296	70	20	BDID	
CCNC(=O)CN(CC)C(=O)C[C@H](C)SC	160611615	KHMXWEOYJWSIFT-VIFPVBQESA-N	246.376	1.113	70	20	BDID	
CC[C@H](C(=O)N[C@H](C)C[C@@H]1CCCO1)N(C)C	160677357	DDEVZNBFZDKVBV-GRYCIOLGSA-N	242.363	1.400	70	20	BDID	
C[C@@H](CCC(C)(C)C)NC(=O)[C@H]1CSCN1	161228535	JKUXDANCJMRVTO-VHSXEESVSA-N	244.404	1.980	70	20	BDID	
c1cnc(N[C@@H]2CCO[C@@H](C3CC3)C2)nc1	160394894	WELGMIJCMPGJPJ-GHMZBOCLSA-N	219.288	1.846	70	20	BDID	
C[C@@H](O)C(C)(C)NC(=O)NCC(F)(F)F	160576888	SRRNEHWJYPFZDY-RXMQYKEDSA-N	228.214	1.007	70	20	BDID	
C/C=C/C=C\C(=O)N1CC(O)(C(C)C)C1	216967327	WLKQARQAUYDYKA-DEQVHDEQSA-N	209.289	1.348	70	20	BDID	
CC(C)NC(=O)c1cccc(S(=O)(=O)F)c1	1339472307	MOBDUGLKBCGALD-UHFFFAOYSA-N	245.275	1.483	70	20	BDID	
NC(=O)c1ccc(OCc2nccs2)cc1	161184866	ZVABNBHSIDJBOM-UHFFFAOYSA-N	234.280	1.821	70	20	BDID	
OCCCN1CCC([C@H](O)C(F)(F)F)CC1	161265609	BPGWKTQZXAEUDK-VIFPVBQESA-N	241.253	1.004	70	20	BDID	
COC(=O)[C@@H]1CCCCN1Cc1ccc(C)cn1	160917402	QKXVICCRXICTQP-ZDUSSCGKSA-N	248.326	1.918	70	20	BDID	
COc1cccc(C(=O)NC2(CO)CC2)c1F	160174984	HUPBSUBOHRBBCY-UHFFFAOYSA-N	239.246	1.089	70	20	BDID	
CCC[C@@H](NS(=O)(=O)Cl)C1CC1	514282021	NUVVYRBHGHXTSW-SSDOTTSWSA-N	211.714	1.638	70	20	BDID	
CNCCNCc1ccc(SC)cc1	161235087	XVODLZOLOULADC-UHFFFAOYSA-N	210.346	1.718	70	20	BDID	
CCOCCC1(C(=O)NC2CC2)CCC1	160514428	VRYJOSKHTNLFDZ-UHFFFAOYSA-N	211.305	1.862	70	20	BDID	
COc1ccc([C@@H](C)CC(=O)NCCO)cc1	159455359	PNUGXODJEYGICD-JTQLQIEISA-N	237.299	1.297	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)c1ccnn1C	159676514	AJFQWBZJBVYYPY-VHSXEESVSA-N	221.304	1.729	70	20	BDID	
CCC(N)(CC)CNC(=O)CC[C@@H]1CCOC1	160500333	YRMVADRLYFTNHP-LLVKDONJSA-N	242.363	1.437	70	20	BDID	
O=C(NC1CC=CC1)[C@H]1CCc2cn[nH]c2C1	160799951	UJZMGNMEKPSVIV-VIFPVBQESA-N	231.299	1.349	70	20	BDID	
C[C@H](O)CCNC(=O)/C=C\c1ccccc1	218284577	AOTWRTGACOXUHV-TVRMLOFPSA-N	219.284	1.587	70	20	BDID	
COc1cc(C)nc(Cn2ccsc2=O)c1	160242524	TYVUJIJRLPCHLD-UHFFFAOYSA-N	236.296	1.670	70	20	BDID	
Cc1csc(N2CCN(CC3CC3)CC2)n1	160378943	PWMYNIAFHMKZMC-UHFFFAOYSA-N	237.372	1.984	70	20	BDID	
Cc1nccc(N2CCC[C@](C)(O)C2)n1	160842779	INXLVQYSIUZWBP-NSHDSACASA-N	207.277	1.136	70	20	BDID	
C[C@H](NCC(C)(C)O)c1cscn1	161194317	GSGODAHVCXLESN-ZETCQYMHSA-N	200.307	1.565	70	20	BDID	
O[C@@H]1CCC[C@H]1N1CCc2ccccc21	217798711	MJHBUYJMUYSKAN-CHWSQXEVSA-N	203.285	1.963	70	20	BDID	
C[C@H](NC(=O)[C@H]1CCCCO1)c1cccnc1	161058008	SKFLQXJGBNXZPU-CMPLNLGQSA-N	234.299	1.828	70	20	BDID	
CCCNC(=O)c1cc(OC)c(OC)cc1F	161255534	DDGJINRYMMATAC-UHFFFAOYSA-N	241.262	1.983	70	20	BDID	
CC[C@@H](SC)C(=O)N[C@@H](CO)CC(C)C	160843088	LYISLRHTHZLBHP-NXEZZACHSA-N	233.377	1.651	70	20	BDID	
Cc1cnc(CSCCN2CCOCC2)o1	159883628	LUCAJEAKHRSRPT-UHFFFAOYSA-N	242.344	1.548	70	20	BDID	
O=C(OCc1cncs1)[C@@H]1C[C@H]2CC[C@@H]1O2	159575619	JUYFGZBPMLMUMH-QNSHHTMESA-N	239.296	1.754	70	20	BDID	
NC(=O)CC1CCN(C[C@H]2CC=CCC2)CC1	159733026	LNIRBAQQFAUMFE-ZDUSSCGKSA-N	236.359	1.930	70	20	BDID	
C[C@H]1C[C@H](C)CN(Cc2nncn2C)C1	160674614	PMBYTIODFVEBOC-UWVGGRQHSA-N	208.309	1.293	70	20	BDID	
COC1(CNC(=O)NC(C)(C)C)CCOCC1	160943799	CIENIUDAKWPZOE-UHFFFAOYSA-N	244.335	1.280	70	20	BDID	
O=C(CCl)NC[C@@H](O)c1cccc(F)c1	116151356	YIFMKMQDWDIPAK-SECBINFHSA-N	231.654	1.214	70	20	BDID	
CSC[C@H](C)NC(=O)c1cccc(F)n1	159939059	LQEKOLMAMFPFEO-ZETCQYMHSA-N	228.292	1.702	70	20	BDID	
C[C@@H](CO)CNCc1cc(O)cc(F)c1	159605180	CDEFVGFOUDJMNN-MRVPVSSYSA-N	213.252	1.249	70	20	BDID	
CNC[C@H]1CCCN1Cc1cncs1	159626196	SUFYCRNNOVQCFL-SECBINFHSA-N	211.334	1.327	70	20	BDID	
CCCC[C@@H](C(=O)OC)N(CC)CCOC	161012403	PFLJAVBUTLOUKI-NSHDSACASA-N	231.336	1.687	70	20	BDID	
C[C@H](NCC1(CO)CC1)c1cscn1	161217753	AVXBGGQALKNJQH-QMMMGPOBSA-N	212.318	1.566	70	20	BDID	
CN(CCCN1CCCCC1)C[C@@H]1CCOC1	161396952	PHCWBCUGVVGTKD-AWEZNQCLSA-N	240.391	1.831	70	20	BDID	
Cn1nccc1NC(=O)c1ccncc1F	161402341	SCYPHXIGDYVHNF-UHFFFAOYSA-N	220.207	1.207	70	20	BDID	
CC(C)COCCCNC(=O)[C@@H]1CCCCO1	161336625	ZHRJXHWMICKEDC-LBPRGKRZSA-N	243.347	1.734	70	20	BDID	
O=C(CC[C@@H]1CCOC1)NC1CC=CC1	160968199	POUYFNQWXHSLIW-SNVBAGLBSA-N	209.289	1.638	70	20	BDID	
CCC1CCN(C(=O)N[C@@H]2CCOC2)CC1	159459452	RNKHPXMBWFIHHK-LLVKDONJSA-N	226.320	1.607	70	20	BDID	
CC[C@@H](C)OCCS(=O)(=O)Cl	112356864	GFIIYOHKZJQHMM-ZCFIWIBFSA-N	200.687	1.370	70	20	BDID	
O=C(C1CCCCC1)N1CCc2ncncc2C1	218065495	PYGYBXIZFXPVGW-UHFFFAOYSA-N	245.326	1.942	70	20	BDID	
Cc1[nH]ccc1C(=O)N[C@H]1CCC[C@H](N)C1	160799123	NSJAXQRXYXPODV-UWVGGRQHSA-N	221.304	1.323	70	20	BDID	
Cc1cc(NC(=O)C2[C@@H]3CCC[C@@H]23)c[nH]c1=O	159483482	CZEJSMMYHKLDPT-NXEZZACHSA-N	232.283	1.668	70	20	BDID	
NC(=O)CC1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1	159732256	FUZHVMCKUFAXOD-RDBSUJKOSA-N	248.370	1.786	70	20	BDID	
Cc1csc(NC(=O)N[C@H]2CCOC2)n1	159395083	BFKVIVZYZNFDNI-ZETCQYMHSA-N	227.289	1.362	70	20	BDID	
CN1CCC(C(=O)Nc2ccc(O)cc2)CC1	159955723	YOBBRZGGOJZMSA-UHFFFAOYSA-N	234.299	1.673	70	20	BDID	
CSCCN(C)C[C@@H]1CCCNC1	160042347	RKUIUNXEHOAEFX-SNVBAGLBSA-N	202.367	1.281	70	20	BDID	
CN(CC(F)(F)F)C(=O)c1ccncc1F	161389952	WYBSEQZMKSWTND-UHFFFAOYSA-N	236.168	1.855	70	20	BDID	
CCCc1nccn1CCS(=O)(=O)F	883953177	KRVSNJLLLSGGGJ-UHFFFAOYSA-N	220.269	1.135	70	20	BDID	
COC(=O)[C@@H](C)N(C)CCc1ccc(F)cc1	159560814	PWLWHWGXDCZLCP-SNVBAGLBSA-N	239.290	1.862	70	20	BDID	
CC[C@@]1(C)C[C@H]1C(=O)NCC(=O)NC(C)C	160138951	NCTWHPBYWYPVOY-CABZTGNLSA-N	226.320	1.063	70	20	BDID	
C[C@@H]1CC[C@@H](C(=O)Nc2ccncc2O)O1	159733629	OOFKNJWQVUEWOW-XCBNKYQSSA-N	222.244	1.293	70	20	BDID	
CN(C)[C@@H](CNC(=O)[C@@H]1CC1(C)C)C1CC1	159579414	OAJRRKKXRBHVOO-QWRGUYRKSA-N	224.348	1.489	70	20	BDID	
O[C@@H]1CCCN(Cc2csc(C3CC3)n2)C1	161267412	SPKKKKPVLSNIBX-LLVKDONJSA-N	238.356	1.977	70	20	BDID	
CN(C)c1ccc(C(=O)OCCCO)cc1	218666158	CONRNGOVJUASJP-UHFFFAOYSA-N	223.272	1.292	70	20	BDID	
C[C@@H]1C[C@H]1CNC(=O)CC[C@@H]1CCNC1	160459460	SMTIZBPWOCBASB-MXWKQRLJSA-N	210.321	1.148	70	20	BDID	
CC(C)CNC(=O)NCCCOC(C)C	217269476	QDIOONXOTRTAHI-UHFFFAOYSA-N	216.325	1.757	70	20	BDID	
COCC[C@H](C)NC(=O)NC1(C)CCC1	160408425	PNFQZKCQNXBJHJ-VIFPVBQESA-N	214.309	1.653	70	20	BDID	
CC(C)OCCN1CC[C@@H](CCN)C1	160047159	YYKSTEFWJCDFQK-LLVKDONJSA-N	200.326	1.082	70	20	BDID	
CSC[C@H](C)NCc1cn(C)nc1C	160151594	MBMNDNVXBUGQRP-QMMMGPOBSA-N	213.350	1.570	70	20	BDID	
CCCC(CCC)N[C@@H](C)CC(N)=O	160675690	PCRRCRRCERHPRY-VIFPVBQESA-N	200.326	1.809	70	20	BDID	
CC(C)CN(C(=O)c1ccc(=O)[nH]n1)C(C)C	218036550	QEHLRIVHFBSHTP-UHFFFAOYSA-N	237.303	1.277	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)Cn1cccn1	159820070	UVBQDZUBKHTLSW-GHMZBOCLSA-N	221.304	1.578	70	20	BDID	
C[C@H](N)CC(=O)NC[C@@H]1CCCC[C@@H]1C	218461930	PVTPNTNQEOLIKX-DCAQKATOSA-N	212.337	1.666	70	20	BDID	
C[C@]1(c2ccccc2)CCCN(C(=O)CN)C1	160102307	FLEZRIKENQCGIZ-AWEZNQCLSA-N	232.327	1.525	70	20	BDID	
CN(C)c1ccc(NC(=O)[C@H]2CCCCO2)cn1	160540038	KYGJBYTVSDLNCM-LLVKDONJSA-N	249.314	1.655	70	20	BDID	
CCc1nnc(CS[C@H](C)CO)o1	160721898	YAFGMFVHBLRJJX-ZCFIWIBFSA-N	202.279	1.246	70	20	BDID	
Cn1cnnc1CSc1ccccn1	160953874	SQGKZWQVHABFHX-UHFFFAOYSA-N	206.274	1.502	70	20	BDID	
O=C(N[C@H]1CCOC1)N[C@H]1CC=CCC1	159539036	VBIPNANGDQKPEA-UWVGGRQHSA-N	210.277	1.183	70	20	BDID	
CCOCCCN1CCC[C@@H]1C[C@@H](C)O	159374128	IKNUDFXWOMDYFV-VXGBXAGGSA-N	215.337	1.648	70	20	BDID	
C[C@H](CC(N)=O)N[C@H](C)c1cncs1	160673221	DUPPRMNMMCQHOP-RNFRBKRXSA-N	213.306	1.058	70	20	BDID	
CCC[C@@H](O)CN[C@H](C)c1ccccn1	160891554	NKJSNTIOWLLPRW-GHMZBOCLSA-N	208.305	1.893	70	20	BDID	
C[C@@H](CCC(F)F)S(=O)(=O)Cl	584880812	GVKGBMIJYKHDDQ-BYPYZUCNSA-N	206.641	1.989	70	20	BDID	
CCn1cc(C(=O)N2[C@@H](C)CC[C@@H]2C)cn1	161502850	CWARNCMBFNBYAR-UWVGGRQHSA-N	221.304	1.916	70	20	BDID	
C[C@]1(CNc2ncccn2)CCCNC1	160003218	QPLNRGPJVWTBSA-NSHDSACASA-N	206.293	1.278	70	20	BDID	
CCN(C)C(=O)NCCCC(=O)OC(C)C	160145879	DDDRVXUQLRBVNG-UHFFFAOYSA-N	230.308	1.380	70	20	BDID	
C[C@H]1CN(C(=O)N[C@@H]2CCOC2)C[C@@H](C)S1	159435632	JQAUZXQCSZNTCC-KXUCPTDWSA-N	244.360	1.311	70	20	BDID	
CS[C@@H](C)CNC(=O)NCCn1cccc1	159943608	FNLBOHUFZHEEDA-JTQLQIEISA-N	241.360	1.539	70	20	BDID	
CC[C@@H](C)N(C)CCNc1cc(F)ncn1	218772934	VJBAYONQSHWUFV-SECBINFHSA-N	226.299	1.758	70	20	BDID	
CC[C@@H](CSC)NCc1ncnn1CC	217329734	JZEFMJILUOOQKQ-VIFPVBQESA-N	228.365	1.529	70	20	BDID	
Cc1nc2n(c1S(=O)(=O)Cl)CCCC2	211737495	NBGXVGWDVXNHSC-UHFFFAOYSA-N	234.708	1.455	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1cscn1	160679345	MQLQOVNUMILKAD-ZETCQYMHSA-N	242.300	1.215	70	20	BDID	
CC[C@@]1(C)CCCN(C(=O)[C@@H]2CSCN2)C1	160775483	SZHYYWMDDLPJAS-JQWIXIFHSA-N	242.388	1.688	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cocn1	159843950	WHNTWRQIIRGUIB-BDAKNGLRSA-N	208.261	1.983	70	20	BDID	
Cc1cc(F)ccc1C(=O)NCCCN	159858175	XABWJLBWOZDURD-UHFFFAOYSA-N	210.252	1.213	70	20	BDID	
C/C=C\C(=O)N(CC(=O)OCC)C1CC1	217129604	CGEKLVHGSMHWSK-HYXAFXHYSA-N	211.261	1.117	70	20	BDID	
O=S(=O)(N1CCCC1)N1[C@H]2C=CC[C@H]1CC2	218765421	JMXPVZQHHGGKCL-QWRGUYRKSA-N	242.344	1.120	70	20	BDID	
CCc1ncnc(N[C@@H](C)CCN(C)C)c1F	217993985	GACDAECSNPLKAY-VIFPVBQESA-N	240.326	1.930	70	20	BDID	
CCn1nccc1CNCC(F)(F)F	160240593	FOURXRMKJMOYBC-UHFFFAOYSA-N	207.199	1.555	70	20	BDID	
CC(C)CNC(=S)N(C)CC1CCOCC1	161123139	QLKNRPUNGIDJPE-UHFFFAOYSA-N	244.404	1.875	70	20	BDID	
CCC[C@@H](O)CN[C@H](C)c1ccncc1	161234379	BIMJMHJOLHXZKY-ZYHUDNBSSA-N	208.305	1.893	70	20	BDID	
Cn1ccc(C(=O)Nc2n[nH]c3ccccc23)n1	218027595	GSFKLXVXSCKAHF-UHFFFAOYSA-N	241.254	1.549	70	20	BDID	
O=C(C(F)F)N(Cc1ccccn1)C1CC1	218685379	WLCWYAQAQDHXQP-UHFFFAOYSA-N	226.226	1.838	70	20	BDID	
CN(C(=S)NC1CC1)[C@H]1CCSC1	160045329	NKBASELTBYLVQV-QMMMGPOBSA-N	216.375	1.461	70	20	BDID	
N[C@@H]1CCN(C(=O)C[C@H]2CCc3ccccc32)C1	160307972	YEQUNMMQZYBGIC-CHWSQXEVSA-N	244.338	1.666	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)C1[C@H]2CCC[C@H]12	160420660	NJYVUSIVZTXNEE-GUBZILKMSA-N	239.315	1.490	70	20	BDID	
CN(Cc1cnc2ccccn12)C[C@@H]1CCOC1	160965775	YAMYFHFFYWWNAG-LBPRGKRZSA-N	245.326	1.803	70	20	BDID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1cnn(C)c1	159893422	OMQAJHFZEBQESD-KWQFWETISA-N	235.287	1.364	70	20	BDID	
C[C@H]1CCN(S(=O)(=O)C2CC2)C[C@H](C)C1	159735395	ZLENQMMUCBKHNF-VHSXEESVSA-N	231.361	1.847	70	20	BDID	
CCC[C@H](O)CNCc1ncc(Cl)n1C	217858808	MIWORGDHMXIXTB-QMMMGPOBSA-N	231.727	1.324	70	20	BDID	
COC(=O)CCCNC(=O)c1[nH]c(C)cc1C	159620618	SZWNPPBRCIMYDX-UHFFFAOYSA-N	238.287	1.315	70	20	BDID	
CCC(CC)NC(=O)c1cc(C)ncn1	161181012	QTGMFCOAZPNTCB-UHFFFAOYSA-N	207.277	1.703	70	20	BDID	
COCCOc1cccc(CC(=O)NC2CC2)c1	160922678	NJBRVQSOFLFCTG-UHFFFAOYSA-N	249.310	1.533	70	20	BDID	
O=C(CCOCC(F)(F)F)NC1CC=CC1	160989988	FPVNLJCMHJTBRU-UHFFFAOYSA-N	237.221	1.790	70	20	BDID	
CC[C@H](COC)Nc1ncccc1OC	159470238	YLLNDZJECKABLM-SECBINFHSA-N	210.277	1.927	70	20	BDID	
CNCCNCc1ccc(Cl)c(C)c1	161238143	ZKJKSEUOVGWGSZ-UHFFFAOYSA-N	212.724	1.957	70	20	BDID	
COC(=O)Nc1ccccc1OCCO	160008986	WJNAQVUQGHILDT-UHFFFAOYSA-N	211.217	1.236	70	20	BDID	
CC(C)(N)CNC(=O)CCC1CCOCC1	160120600	IJXCRKPMJMDDHA-UHFFFAOYSA-N	228.336	1.047	70	20	BDID	
CC1(C)C[C@@H]1C(=O)NC[C@@H]1CCN(C2CC2)C1	160137031	BDLNTQWUEGGQOA-CMPLNLGQSA-N	236.359	1.633	70	20	BDID	
CN(Cc1cccn1C)C(=O)c1ccncc1	160741523	SQTAQQURMVGDAU-UHFFFAOYSA-N	229.283	1.692	70	20	BDID	
O=C(N1CCCCCC1)N1CCn2cnnc2C1	160618068	MKVYFTYNRNUFIV-UHFFFAOYSA-N	249.318	1.090	70	20	BDID	
NC(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21	161047493	VHXBEAMQNFAJOU-OUAUKWLOSA-N	202.257	1.383	70	20	BDID	
COC[C@@H](C)NC(=O)c1cccn1C(C)C	160953156	RGGJTINZHWLKJI-SNVBAGLBSA-N	224.304	1.834	70	20	BDID	
NCCCC(=O)NC[C@@H]1CCc2ccccc21	159734587	OPKKFGPVBRAWIV-LBPRGKRZSA-N	232.327	1.572	70	20	BDID	
Cc1cccc(C)c1Cn1ncn(C)c1=O	160783215	HFTTXTYKPGAAJB-UHFFFAOYSA-N	217.272	1.247	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@H]1C[C@@H]1C	160299801	NGYDUCRYWABKPG-CIUDSAMLSA-N	213.277	1.100	70	20	BDID	
CCOCCCN1CCC[C@H](CCC(N)=O)C1	160332771	OPWCNPPSOUIZRR-GFCCVEGCSA-N	242.363	1.391	70	20	BDID	
CCCCC(=O)N1CCc2ncncc2C1	218049479	MGSAHBXBPGSBGL-UHFFFAOYSA-N	219.288	1.552	70	20	BDID	
O=S(=O)(F)CCn1cnc2c1CCCC2	883953856	NPBPVUPUZSAWKQ-UHFFFAOYSA-N	232.280	1.061	70	20	BDID	
C=CCn1nccc1CS(=O)(=O)Cl	216131653	JMGFIOGHQYKKNL-UHFFFAOYSA-N	220.681	1.138	70	20	BDID	
Cc1ccc(CS(=O)(=O)Cl)nc1	123789959	VCSBKEFDQPPQOC-UHFFFAOYSA-N	205.666	1.459	70	20	BDID	
CC(C)(N)CNC(=O)C1(Cc2ccccc2)CC1	160075524	DMLLWTOYHBSVAN-UHFFFAOYSA-N	246.354	1.863	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)CCOC(C)C	160157709	KGZKYGAQDURQFY-SNVBAGLBSA-N	245.319	1.259	70	20	BDID	
COc1cccc(CNC[C@@H](C)O)c1F	160462366	UTLUUHWANBIJAD-MRVPVSSYSA-N	213.252	1.305	70	20	BDID	
Cc1cc(NC(=O)CS[C@H](C)CO)no1	160732984	CHDIULICYLMZAA-SSDOTTSWSA-N	230.289	1.036	70	20	BDID	
O=S(=O)(CC[C@H]1CCNC1)c1ccccc1	217105838	PWWXKMKXBKXEFP-LLVKDONJSA-N	239.340	1.460	70	20	BDID	
COC(=O)CCC(=O)N1[C@H](C)CC[C@H]1C	161438094	FVZASPZBNBJWLK-RKDXNWHRSA-N	213.277	1.339	70	20	BDID	
COC(C)(C)C[C@@H](C)NC(=O)[C@@H]1CCCCN1	160966954	ZUWGDPWHVBKDDR-MNOVXSKESA-N	242.363	1.448	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)c1cocn1	159844336	WHNTWRQIIRGUIB-DTWKUNHWSA-N	208.261	1.983	70	20	BDID	
CC(C)S(=O)(=O)CCCN1CCCCC1	160455958	UYGHPJILWDORAB-UHFFFAOYSA-N	233.377	1.686	70	20	BDID	
N[C@@H]1CCC[C@H](NC(=O)COc2ccccc2)C1	160967899	GYIYNMIXDXBMPL-NEPJUHHUSA-N	248.326	1.452	70	20	BDID	
CC[C@H]1COCCN1CCCN1CCCCC1	161134186	CRPGXUNGSUOWDX-AWEZNQCLSA-N	240.391	1.973	70	20	BDID	
N[C@H]1CCC[C@H](NC(=O)c2ccc[nH]2)C1	161347819	IUUAVTWWGYIFKY-IUCAKERBSA-N	207.277	1.014	70	20	BDID	
CCOC[C@H](CS(=O)(=O)Cl)C(C)C	114434578	DZHJCFGWSNVGLO-MRVPVSSYSA-N	228.741	1.864	70	20	BDID	
CC(C)c1nccn1CCS(=O)(=O)F	883953981	UIVZQCNGCCFWKR-UHFFFAOYSA-N	220.269	1.306	70	20	BDID	
CCC1(C)CCN(S(=O)(=O)Cl)CC1	108992563	LRRMIHBWZCRJGP-UHFFFAOYSA-N	225.741	1.982	70	20	BDID	
FCCCSCc1nnnn1C1CC1	161209855	WANPCGMNZGYBLL-UHFFFAOYSA-N	216.285	1.601	70	20	BDID	
CCCC[C@H](COC)NC(=O)N[C@@H](C)CCO	160411158	FHLQKVJBKRKNLA-WDEREUQCSA-N	246.351	1.262	70	20	BDID	
CCc1oc(C(=O)NC2(CO)CC2)cc1C	160506937	YUIOVIOHJBTHRI-UHFFFAOYSA-N	223.272	1.405	70	20	BDID	
CO[C@H](C)C(=O)N(C)CCC(F)(F)F	160555046	BWFLHGRDXSHEID-ZCFIWIBFSA-N	213.199	1.432	70	20	BDID	
COC(=O)c1ccc(N[C@H](C)C2CCC2)nn1	159996493	TWTHHLOCBLSGAF-MRVPVSSYSA-N	235.287	1.864	70	20	BDID	
Oc1cc(F)cc(CN[C@@H]2CCOC2)c1	159609247	MQGOXFFVRAGVPR-SNVBAGLBSA-N	211.236	1.410	70	20	BDID	
CN(C)Cc1ccccc1CNC(=O)C(F)F	218692142	QBZKXDKZXYRVMX-UHFFFAOYSA-N	242.269	1.630	70	20	BDID	
C[C@H](NC(=O)C1(C)CC1)c1nnc2ccccn12	160138074	XIRLPHKUNCEQHN-VIFPVBQESA-N	244.298	1.707	70	20	BDID	
CC1CCN(C(=O)NC[C@H]2CCN(C)C2)CC1	160378573	IKUFGBKNDFAXHA-GFCCVEGCSA-N	239.363	1.380	70	20	BDID	
CC[C@@H](C)OCC(=O)N(CC)C[C@H]1CCCO1	160720676	DIOGCXSXVIFADY-VXGBXAGGSA-N	243.347	1.829	70	20	BDID	
C[C@@H](CNC(=O)N[C@H]1CCOC1)C(C)(C)C	159407674	GOTOPZZLGCNMAZ-UWVGGRQHSA-N	228.336	1.757	70	20	BDID	
C[C@@H]1CC[C@@H](C(=O)NCCc2ccccc2O)O1	159644874	WEERUGNYGMIIOP-MFKMUULPSA-N	249.310	1.618	70	20	BDID	
CC(C)[C@H](C(=O)NCCO)c1ccccc1	159463319	OARNCIMKXHRWGR-LBPRGKRZSA-N	221.300	1.535	70	20	BDID	
C[C@H]1Cc2ccccc2[C@H]1NC(=O)[C@@H](C)N	159882253	JZEDQGPXBHPLOZ-SBMIAAHKSA-N	218.300	1.383	70	20	BDID	
CCC[C@H](C(=O)N1CCOCC1)C(C)C	160966175	IYWSOFMJYFMUEG-NSHDSACASA-N	213.321	1.918	70	20	BDID	
C[C@@H](CNC(=O)c1ccn(C)c(=O)c1)C1CC1	218763474	SVLOJNXBBAYKFT-VIFPVBQESA-N	234.299	1.161	70	20	BDID	
CCCOC(=O)N1CCN(C(C)(C)C)CC1	218618713	DGVPEIKSEFUAGH-UHFFFAOYSA-N	228.336	1.949	70	20	BDID	
c1cn(CCN2CCC[C@@H](N3CCCC3)C2)cn1	159755569	DJKXCHHDMWDGDN-CQSZACIVSA-N	248.374	1.443	70	20	BDID	
CC[C@H](CCO)N[C@H]1CCC[C@@H](N)C1	217691723	ODYBMLJLZUEXEM-MXWKQRLJSA-N	200.326	1.007	70	20	BDID	
CC(C)[C@@H](C)C(=O)N1CC[C@@H]2CNC[C@@H]21	216635805	COVCPXFSFDHPAU-MXWKQRLJSA-N	210.321	1.099	70	20	BDID	
CCc1nc(CN[C@H](CCO)C(C)(C)C)n[nH]1	160546912	XEAMOTVHERWITM-SECBINFHSA-N	240.351	1.254	70	20	BDID	
CCNC(=S)N1CC[C@@H](C)[C@@H](C)C1	160869873	PFLRNMVDZHXUQA-BDAKNGLRSA-N	200.351	1.859	70	20	BDID	
Cc1nc(Cn2cnc(C(C)C)cc2=O)no1	160869413	PGTQQDWAWICRMX-UHFFFAOYSA-N	234.259	1.106	70	20	BDID	
CC1=CCN(C(=O)c2cn[nH]c2C)CC1	160173828	CJUINYWHXISNRG-UHFFFAOYSA-N	205.261	1.510	70	20	BDID	
CC[C@H](O)CCN[C@H]1CCCOCC1	161472341	KZAIATAMJBYIQJ-QWRGUYRKSA-N	201.310	1.306	70	20	BDID	
COC[C@@H](C)NC(=O)c1ccc(C(C)C)nc1	159610792	FFSLQRRMLFJEMF-SNVBAGLBSA-N	236.315	1.970	70	20	BDID	
CCc1nsc(N[C@H](C)C[C@H](C)O)n1	159685964	QKSAMBJGHWZAOO-RQJHMYQMSA-N	215.322	1.672	70	20	BDID	
COC[C@@H](N)C(=O)N(Cc1ccccc1)C1CC1	159620418	FFKMRVRRLQKCFI-CYBMUJFWSA-N	248.326	1.151	70	20	BDID	
CCc1ncnc(NCc2c[nH]nc2C)c1F	217990536	UJGAAQKZMFQWMB-UHFFFAOYSA-N	235.266	1.822	70	20	BDID	
CC1(NC(=O)CCC2CCNCC2)CC1	160806945	YPZKYOXQHXGQMY-UHFFFAOYSA-N	210.321	1.435	70	20	BDID	
C[C@]1(O)CCCN(C(=O)[C@@H]2CCSC2)C1	161027541	CZCPJFKTFOALHQ-KOLCDFICSA-N	229.345	1.113	70	20	BDID	
CCCNCCNCc1sccc1OC	161347477	YYRDJVXJJUNAMI-UHFFFAOYSA-N	228.361	1.846	70	20	BDID	
CNCC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C	161420189	WDFPIPTWXDWCKJ-WCQYABFASA-N	232.327	1.610	70	20	BDID	
CC[C@H](C)OCC(=O)NC[C@H]1CCN(CC)C1	160122659	GBAPSNYEUWZZRF-NWDGAFQWSA-N	242.363	1.260	70	20	BDID	
CC(C)CN1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C	160457212	RTZLOGXMZAQKQO-JHJVBQTASA-N	238.375	1.879	70	20	BDID	
CS[C@H](C)CC(=O)N[C@H](CO)CC(C)C	160845255	CJCHRLVRHQXLIW-ZJUUUORDSA-N	233.377	1.651	70	20	BDID	
Cc1cccc(F)c1NC(=O)C[C@@H](C)N	160325501	XEGRBXPRNQCWGP-MRVPVSSYSA-N	210.252	1.810	70	20	BDID	
CC(C)SCCCCS(C)(=O)=O	160944373	CTLDTTFEFQVYAX-UHFFFAOYSA-N	210.364	1.953	70	20	BDID	
C[C@H](C(=O)OC(C)(C)C)N1CCC[C@@H](O)C1	217725043	KPKYJGIGORPMKE-NXEZZACHSA-N	229.320	1.173	70	20	BDID	
COCCCCN1CC[C@@H]([C@H](C)O)C1	159450526	PAZVTEQNCIZHCO-WDEREUQCSA-N	201.310	1.116	70	20	BDID	
Cc1cccc(C)c1NCC(=O)N1CC[C@@H](N)C1	160323172	LVZXWQIOBJYAKN-GFCCVEGCSA-N	247.342	1.275	70	20	BDID	
CCCCn1ncc(C(=O)NCCOC)c1C	160963395	RAYRRYJTVQCZDO-UHFFFAOYSA-N	239.319	1.368	70	20	BDID	
C[C@@H](N)[C@@H]1CCN(CCC(F)(F)F)C1	159505241	JZMAPIHAFUACTD-HTQZYQBOSA-N	210.243	1.608	70	20	BDID	
CCCSCC(=O)N1CCC[C@H]1CN	160223677	LFTGBGBIUMWIKB-VIFPVBQESA-N	216.350	1.079	70	20	BDID	
CC[C@H](CCO)N[C@H](C)c1ccncc1	161236422	YEUCGRKRECHZLB-ZYHUDNBSSA-N	208.305	1.893	70	20	BDID	
C[C@@H]1CCCN(C(=O)[C@H]2CCNC2)[C@@H]1C	218265625	ZJXWJGFCQPRTQN-MXWKQRLJSA-N	210.321	1.243	70	20	BDID	
O=C(Nc1ccc2[nH]nnc2c1)[C@@H]1CCCCO1	160089464	VNBKJOFPRMZBLV-NSHDSACASA-N	246.270	1.466	70	20	BDID	
CS[C@H](C)CC(=O)N[C@@H](CO)CC(C)C	160845394	CJCHRLVRHQXLIW-NXEZZACHSA-N	233.377	1.651	70	20	BDID	
CCCCSCCC(=O)NCCC(=O)OC	159415621	LOGWHKCRNGUVFO-UHFFFAOYSA-N	247.360	1.589	70	20	BDID	
CCCN(CCC)C(=O)N[C@@H]1CCOC1	159438176	CHYJSFADOXSNSF-SNVBAGLBSA-N	214.309	1.607	70	20	BDID	
CCc1nn(C)cc1CNc1cc(OC)ncn1	159734223	QHDGVQZDENHEQO-UHFFFAOYSA-N	247.302	1.393	70	20	BDID	
COCCOCCCCNc1nccnc1C	159393526	FFAVARNCEWTKEI-UHFFFAOYSA-N	239.319	1.640	70	20	BDID	
CC[C@H]([C@@H]1CCOC1)S(=O)(=O)Cl	307447824	QCHSJVMROSYPMA-RNFRBKRXSA-N	212.698	1.370	70	20	BDID	
CC(C)[C@H](N)CNC(=O)/C=C\c1cccs1	216997102	MZSBTKUJNLBEHE-ISALQUGTSA-N	238.356	1.861	70	20	BDID	
CCn1nccc1CN[C@@](C)(CC)CO	160204257	XPJRUUVIDRNPCR-NSHDSACASA-N	211.309	1.154	70	20	BDID	
O=C(C[C@@H]1C=CCC1)NC1(CO)CCC1	161112560	UNEGTUPFKREIAD-SNVBAGLBSA-N	209.289	1.374	70	20	BDID	
CC[C@H](COC)NC(=O)c1ccncc1F	161405289	QCKDVBUVEDDWJO-MRVPVSSYSA-N	226.251	1.376	70	20	BDID	
C[C@@]1(C(=O)N2CCSCC2)CCCCN1	159560312	JGKSBLYKUAOGTM-NSHDSACASA-N	228.361	1.094	70	20	BDID	
CC[C@H](O)CCN[C@@H]1CCC[C@@H](N)C1	218753922	MTXXITMGMXJCKE-MXWKQRLJSA-N	200.326	1.007	70	20	BDID	
CC[C@@H](C)OCC(=O)NC[C@@H]1CCN(CC)C1	160122245	GBAPSNYEUWZZRF-NEPJUHHUSA-N	242.363	1.260	70	20	BDID	
O=C(NCCc1cccc(O)c1)c1cccnc1	160172566	MMWCURBUGZMGOQ-UHFFFAOYSA-N	242.278	1.760	70	20	BDID	
CCC[C@H](C(=O)NC1(C(N)=O)CC1)C(C)C	160912867	QXKODNPNJQJDCZ-VIFPVBQESA-N	226.320	1.193	70	20	BDID	
C[C@H](C(N)=O)N(C)Cc1cccc(N(C)C)c1	159815789	ZIEIDAKDZLFHLT-SNVBAGLBSA-N	235.331	1.058	70	20	BDID	
CCC(CC)CNC(=O)NCC(C)(C)O	160551147	IUBTZWDICCCKHR-UHFFFAOYSA-N	216.325	1.493	70	20	BDID	
Cc1ccc(O)c(S(=O)(=O)Cl)c1F	216323135	JZXFRFQWKYBQOV-UHFFFAOYSA-N	224.640	1.767	70	20	BDID	
CSCC[C@@H](C)N(C)C(=O)CNC1CC1	159624434	ODFWHQOCXOCJJH-SECBINFHSA-N	230.377	1.338	70	20	BDID	
CC(C)CCC(=O)N1CC[C@@H](CCN)C1	159984262	BZKNCKURNFKXSN-LLVKDONJSA-N	212.337	1.620	70	20	BDID	
CCOCCN1CCN(Cc2ccncc2)CC1	161139168	KQGXTIVVQBVPLK-UHFFFAOYSA-N	249.358	1.236	70	20	BDID	
C[C@H](CO)SCC(=O)NCc1cccs1	160774345	DKBIXGAMYJKPHW-MRVPVSSYSA-N	245.369	1.478	70	20	BDID	
COC[C@@H](C)CNCc1ncccc1C	159630709	GKZIARLMMXVALF-JTQLQIEISA-N	208.305	1.762	70	20	BDID	
CC[C@H](CCO)Nc1cc(NC)ncn1	218550489	LKRYAWLZUTWFJN-MRVPVSSYSA-N	210.281	1.091	70	20	BDID	
O=S(=O)(Cl)N1CCC[C@@H]2CCC[C@@H]21	227162780	PVQCIEQTTPSTTO-YUMQZZPRSA-N	223.725	1.735	70	20	BDID	
O=S(=O)(Cl)N1CC[C@H]2CCCC[C@H]21	133551504	HSPTUOVEOPBNFK-HTQZYQBOSA-N	223.725	1.735	70	20	BDID	
C[C@H](NC(=O)N[C@H]1CCOC1)C1CCC1	160200218	IWGYBBKFYJDCKU-WPRPVWTQSA-N	212.293	1.263	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1cscn1	160679235	MQLQOVNUMILKAD-SSDOTTSWSA-N	242.300	1.215	70	20	BDID	
C[C@@H](CC1CC1)NC(=O)N[C@H]1CCOC1	159405759	VZUSNPBFAIKGGY-WPRPVWTQSA-N	212.293	1.263	70	20	BDID	
Cn1c(SCCn2ccnc2)nnc1C1CC1	159567528	WFHJOIADZKCYTQ-UHFFFAOYSA-N	249.343	1.681	70	20	BDID	
CC(C)c1ccc(C(=O)NCC(C)(C)O)cn1	159755619	BVAFZDQFGMPQNQ-UHFFFAOYSA-N	236.315	1.706	70	20	BDID	
CCC[C@H](NS(=O)(=O)Cl)C1CC1	514282022	NUVVYRBHGHXTSW-ZETCQYMHSA-N	211.714	1.638	70	20	BDID	
CCOC[C@H](C)NCCN(C)[C@H](C)CC	160130985	ABXLWZIIHANIHS-NWDGAFQWSA-N	216.369	1.731	70	20	BDID	
C1CCN([C@H]2CCN(CCOCC3CC3)C2)C1	160335089	PHYXDAJGKCDPPL-AWEZNQCLSA-N	238.375	1.583	70	20	BDID	
CCc1nc(CN[C@H](C)[C@H](C)CC)n[nH]1	160454324	YCRUXUQLWCNSHX-RKDXNWHRSA-N	210.325	1.891	70	20	BDID	
CCOC(=O)[C@@H](C)N1CCCO[C@@H](C)C1	217584661	GIHNKHVYABHMAP-VHSXEESVSA-N	215.293	1.049	70	20	BDID	
CCc1nc(CN2CCOC3(CCC3)C2)n[nH]1	160189018	XRNWVHJJLNZAMF-UHFFFAOYSA-N	236.319	1.122	70	20	BDID	
COc1cc(NCc2ncnn2C)ccc1F	160247465	WDTPEIATSXRZBH-UHFFFAOYSA-N	236.250	1.575	70	20	BDID	
CC(C)N(C)C(=O)c1cccc(-c2ncn[nH]2)c1	159364182	OXEWYSHSTRWJHN-UHFFFAOYSA-N	244.298	1.952	70	20	BDID	
CC(C)CC1(CNC(=O)CCN)CCC1	160669856	IFYPVBVEZBNXOQ-UHFFFAOYSA-N	212.337	1.668	70	20	BDID	
CC(C)C(=O)N1CCc2ncncc2C1	218064548	XICOEZFKXLNZQK-UHFFFAOYSA-N	205.261	1.017	70	20	BDID	
CC(C)[C@@H](Cc1ccc(F)cc1)NCCN	218280400	VSOYXVBPPNVRLG-CYBMUJFWSA-N	224.323	1.941	70	20	BDID	
COCCN(Cc1nccn1C)CC(C)C	160773868	BIFUPNOHXMUVJT-UHFFFAOYSA-N	225.336	1.525	70	20	BDID	
C[C@H]1CC[C@@H](CNCCNC(C)(C)C)O1	161463745	IHUSPFLEYBBVAY-QWRGUYRKSA-N	214.353	1.532	70	20	BDID	
Cc1cc(C)n(CCCNCC2CC2)n1	218071918	YPIKTWJNBCYDPC-UHFFFAOYSA-N	207.321	1.890	70	20	BDID	
CS[C@@H](C)CC(=O)N1CCOCC1(C)C	161013969	ZEIHFLWCYJRLMO-VIFPVBQESA-N	231.361	1.765	70	20	BDID	
C[C@H](N)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1	161053765	AEPNQQKKXHBOIZ-UBHSHLNASA-N	246.354	1.861	70	20	BDID	
C[C@H]1CC(=O)CC[C@H]1C(=O)NCC1CC1	159627845	SZAUOTBSBUQYFQ-GZMMTYOYSA-N	209.289	1.518	70	20	BDID	
CC(C)C[C@@H]1CCCN1Cc1nncn1C	160886395	DPCKEXQSYWMTIM-NSHDSACASA-N	222.336	1.826	70	20	BDID	
CC(C)[C@H](C)C(=O)N1CCC[C@](C)(O)C1	161027161	KCUQENFNFAOQAR-JQWIXIFHSA-N	213.321	1.652	70	20	BDID	
CC[C@](C)(O)CN[C@@H](C)c1cscn1	161192402	OHPFCUUXPQBFDY-WPRPVWTQSA-N	214.334	1.955	70	20	BDID	
CCOC(=O)[C@H](C)N1CCCO[C@@H](C)C1	217584745	GIHNKHVYABHMAP-UWVGGRQHSA-N	215.293	1.049	70	20	BDID	
O=S(=O)(Cl)Cc1cccc2c1OCCO2	156119494	VSJPBNNSTBWVCD-UHFFFAOYSA-N	248.687	1.526	70	20	BDID	
COc1ccc(NC(=O)[C@@]2(C)CCNC2)cc1N	161129504	DCTJIKSHXXIPDA-ZDUSSCGKSA-N	249.314	1.216	70	20	BDID	
O=C(/C=C/c1cccc(F)c1)N[C@@H]1CCC[C@H]1O	161171076	FMANGADJFUVSME-WUOSCTTQSA-N	249.285	1.869	70	20	BDID	
CC[C@H](C)OCC(=O)Nc1nnc(C)s1	160162040	SLSKJXCPZBMXDB-LURJTMIESA-N	229.305	1.600	70	20	BDID	
CN1c2ccccc2C(=O)N[C@H]1c1ccn(C)c1	160230718	YDEBRRLMVZINHR-CYBMUJFWSA-N	241.294	1.904	70	20	BDID	
CCC[C@H](C)CC(=O)N(C)[C@@H](C)CO	160482731	FOYHAPCZNKOUSZ-UWVGGRQHSA-N	201.310	1.652	70	20	BDID	
CN[C@H]1CCN(C(=O)[C@H](C)c2cccc(C)c2)C1	160495220	VEFHIMHMUQLXAQ-OCCSQVGLSA-N	246.354	1.919	70	20	BDID	
C[C@]1(C(=O)NCC2CCC2)CCCCN1	159567121	WBLDWNKOLFDZST-GFCCVEGCSA-N	210.321	1.435	70	20	BDID	
CCCCN(C)CCCCS(C)(=O)=O	161086801	VQSHBIUDFJXMHU-UHFFFAOYSA-N	221.366	1.543	70	20	BDID	
CN[C@H]1CCN(C(=O)c2cccc(Cl)n2)C1	160650921	YBKKVIZALBKQDI-QMMMGPOBSA-N	239.706	1.169	70	20	BDID	
Cc1cnccc1CN[C@H]1CCC[C@@H]1O	160609012	WQEKUGFLKNKONE-RYUDHWBXSA-N	206.289	1.393	70	20	BDID	
Cc1ccc([N+](=O)[O-])c(S(=O)(=O)Cl)c1	97972515	BMYVMTZPQQYAJR-UHFFFAOYSA-N	235.648	1.831	70	20	BDID	
CONC(=O)Cc1cccc(OC(F)(F)F)c1	160758831	AWOVJXHBLOKVMF-UHFFFAOYSA-N	249.188	1.805	70	20	BDID	
Cn1cnnc1CSc1ncc2ccccn12	160989884	MIHNWGICQYXXNT-UHFFFAOYSA-N	245.311	1.755	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cnn(C)c1	159734770	TUZBOCPNTVODAY-MWLCHTKSSA-N	221.304	1.729	70	20	BDID	
CC(C)CN(C)C(=O)N[C@@H]1CCOC1	159434933	ZOFXWSMLTQMWBX-SECBINFHSA-N	200.282	1.073	70	20	BDID	
CC(C)[C@@H](N)C(=O)NC[C@H]1CCc2ccccc21	159733555	BQGGZGASEQCEFU-TZMCWYRMSA-N	246.354	1.816	70	20	BDID	
Cc1cc(C)nc(NC[C@@H](O)C(C)C)n1	160429164	ZYBSTLHBNJEKSU-SNVBAGLBSA-N	209.293	1.522	70	20	BDID	
CCC[C@H](O)CN[C@H]1CCC[C@@H](N)C1	217722857	JJQKOKQOVPDDHL-VWYCJHECSA-N	200.326	1.007	70	20	BDID	
COCCOC(=O)c1cc(F)cnc1Cl	218162450	BKOCPLWZEMEFFS-UHFFFAOYSA-N	233.626	1.677	70	20	BDID	
C[C@H](CO)SCC(=O)c1ccn(C)c1	160723318	IRGZATJZKONVBN-MRVPVSSYSA-N	213.302	1.322	70	20	BDID	
C[C@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@H](C)N	160903891	ZRXMOHLCBMEDHS-LOWVWBTDSA-N	232.327	1.738	70	20	BDID	
Cc1n[nH]cc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	159568763	BEWCGMKGGCIJEE-XQQFMLRXSA-N	247.342	1.765	70	20	BDID	
CN(CCCc1ccccc1)Cc1nncn1C	160791165	HOSHMAWKVZBLBZ-UHFFFAOYSA-N	244.342	1.880	70	20	BDID	
CC(C)n1ncc(S(=O)(=O)Cl)c1F	238852899	HSXKZAOXPJMEIQ-UHFFFAOYSA-N	226.660	1.531	70	20	BDID	
CN(C)C(=O)c1ccc(S(=O)(=O)F)cc1	238852841	HIEJGWRYOQAYTR-UHFFFAOYSA-N	231.248	1.047	70	20	BDID	
CCS[C@@H]1CCCCN(C(=O)[C@@H](C)N)C1	159764783	ZYDIHBBCLBMWKD-NXEZZACHSA-N	230.377	1.468	70	20	BDID	
CC[C@@H](SC)c1nc(CC(=O)NC)no1	161381133	JTZFQKLXACQVEL-ZCFIWIBFSA-N	229.305	1.172	70	20	BDID	
C[C@H](N)C(=O)N1CCc2c(Cl)cccc21	160584913	KFXIOHVAANMOLL-ZETCQYMHSA-N	224.691	1.576	70	20	BDID	
CC(C)C(=O)Nc1ccc(S(=O)(=O)F)cc1	185104357	ZXHDFZAFSDDAKO-UHFFFAOYSA-N	245.275	1.939	70	20	BDID	
CCCNC(=O)CCNC(=O)C[C@H](C)SC	160705888	VIUKXXIXPPIXKM-VIFPVBQESA-N	246.376	1.161	70	20	BDID	
C[C@@H](CO)SCC(=O)Nc1nccs1	160756002	QNURHHWERFXDRK-LURJTMIESA-N	232.330	1.196	70	20	BDID	
O=S(=O)(Cl)[C@@H]1CCCC[C@H]1F	221501874	IAGUHAITTUUZQV-PHDIDXHHSA-N	200.662	1.836	70	20	BDID	
CC1=NN(C)C(=O)[C@H]1C(=O)Nc1ccccc1C	160083556	XKSFLVRNWYXDPG-LLVKDONJSA-N	245.282	1.398	70	20	BDID	
Cc1noc(Cn2cnc(C(C)C)cc2=O)n1	160680592	JGLBTKGLVJXDCM-UHFFFAOYSA-N	234.259	1.106	70	20	BDID	
C[C@H](N[C@@H]1CCC[C@H](N(C)C)C1)[C@@H]1CCOC1	161026747	AFNWDBFJZJVSSY-DGAVXFQQSA-N	240.391	1.874	70	20	BDID	
C/C=C/C(=O)N[C@@H]1CCN(c2ccccn2)C1	218094842	PYLPNKBEVGWYIB-XGQHYKRYSA-N	231.299	1.353	70	20	BDID	
CCOC1(C)CCN(S(=O)(=O)Cl)CC1	306358573	ZVBSQYHVBYXMFH-UHFFFAOYSA-N	241.740	1.361	70	20	BDID	
CC[C@@H](C)N(C)C(=O)C(=O)Nc1nocc1C	160633019	DDJJFUWNQLYDGX-MRVPVSSYSA-N	239.275	1.178	70	20	BDID	
CCC[C@@H](C)N(C)C(=O)N[C@@H]1CCOC1	159554217	JDZOXJBZMNBZSY-NXEZZACHSA-N	214.309	1.605	70	20	BDID	
C/C=C/C=C\C(=O)N(C)Cc1cn[nH]c1	216681529	GYGGAESUZGWJNQ-ICWBMWKASA-N	205.261	1.500	70	20	BDID	
CCC(CC)(CNCCCOC)C(=O)OC	159653096	JITIAPZVSQJAGU-UHFFFAOYSA-N	231.336	1.592	70	20	BDID	
Cc1ccoc1CNCc1ccn(C)n1	160805879	QUJGQBGUPBLKKX-UHFFFAOYSA-N	205.261	1.611	70	20	BDID	
CCCC[C@H](COC)NC(=O)[C@@H](C)CNC	159652121	NSPPPJYNWJHVML-WDEREUQCSA-N	230.352	1.163	70	20	BDID	
O=C(CCn1ccccc1=O)NC1CC=CC1	161025245	QYACBSAULSPSBK-UHFFFAOYSA-N	232.283	1.073	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)CC(C)(C)C	160403417	CSMUEYXIANUZQJ-VIFPVBQESA-N	229.320	1.881	70	20	BDID	
CCN(C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	160484096	KLDIHADDJXULIU-WDEREUQCSA-N	226.320	1.605	70	20	BDID	
CC[C@@H](C(=O)N[C@H](C)C1CCOCC1)N(C)C	160760407	LGBLAUMPKCURMP-PWSUYJOCSA-N	242.363	1.258	70	20	BDID	
CN(C)CC(=O)N1CCC(OC(C)(C)C)CC1	160914931	PXYFEHKMMHPBLF-UHFFFAOYSA-N	242.363	1.354	70	20	BDID	
CCc1nnc([C@@H](C)Nc2cc(C)n(C)n2)o1	159617172	TZOFFOPBXKBMSB-MRVPVSSYSA-N	235.291	1.847	70	20	BDID	
CCN1CCN(CC[C@H]2CCCN2C)CC1	161247824	HHKXSEMRJLQFBR-CYBMUJFWSA-N	225.380	1.108	70	20	BDID	
C[C@]1(C(=O)NC2CCCC2)CCCCN1	159552990	HARPMWJYPSEYGX-GFCCVEGCSA-N	210.321	1.577	70	20	BDID	
CCN(Cc1ccccc1)Cc1nncn1C	160678538	RXDBRINJEFIQHC-UHFFFAOYSA-N	230.315	1.837	70	20	BDID	
CCC[C@H](C)CC(=O)N1CC[C@@H](NC)C1	160638071	BNSNMXPUYGIPOV-WDEREUQCSA-N	212.337	1.633	70	20	BDID	
CCCN(CCO)Cc1ccc2cn[nH]c2c1	161202826	MHRUONAZYVDJHY-UHFFFAOYSA-N	233.315	1.767	70	20	BDID	
CCOC[C@H](O)CN[C@@H]1CC(C)(C)OC1(C)C	161349161	VYGOUDFUHQEPMR-GHMZBOCLSA-N	245.363	1.320	70	20	BDID	
C[C@@H](CC(=O)NCC(F)F)c1ccncc1	160947750	DVVRAADDVAHJNA-QMMMGPOBSA-N	228.242	1.957	70	20	BDID	
CCOC(=O)[C@H](CC)C(=O)O[C@H](C)CC	218479054	BKKVAPLCVHMLDM-BDAKNGLRSA-N	216.277	1.917	70	20	BDID	
C[C@H](CCO)NCc1cc(O)cc(F)c1	159612822	DBQMOACHJBNBBO-MRVPVSSYSA-N	213.252	1.392	70	20	BDID	
CCn1nccc1CNCc1nccs1	160060338	FXMIJGJCWQKGSK-UHFFFAOYSA-N	222.317	1.649	70	20	BDID	
Cc1cccc(CNC(=O)N2CCN(C)CC2)c1	217314484	NVMYSRSRGTZALM-UHFFFAOYSA-N	247.342	1.452	70	20	BDID	
Cc1ccc(NC(=O)N[C@H](C)[C@H]2CCOC2)cn1	161330659	YWLFXYLKCXMOLC-MNOVXSKESA-N	249.314	1.937	70	20	BDID	
Cc1cccc(C(=O)Nc2c[nH]c(=O)c(C)c2)n1	159432396	HMMAJFHLZSDZJU-UHFFFAOYSA-N	243.266	1.639	70	20	BDID	
CCCO[C@H]1CCCN(C(=O)[C@H](C)N)CC1	159469789	FJMLXALQXVTTIX-QWRGUYRKSA-N	228.336	1.141	70	20	BDID	
C[C@@H](N)C(=O)NC[C@@H]1CCc2ccccc21	159728782	YVZHUXYMUXXLFU-KOLCDFICSA-N	218.300	1.180	70	20	BDID	
Cc1nccc(CNC(=O)NC2(C)CCC2)n1	159778926	SZHIAKKMNFXVMK-UHFFFAOYSA-N	234.303	1.527	70	20	BDID	
C[C@@H]1CC[C@H](CC(=O)N2CCNCC2)C1	159408753	ASVPKYAJKGSERT-MNOVXSKESA-N	210.321	1.245	70	20	BDID	
CC(C)OCCN1CCC[C@@H]1C[C@@H](C)O	159362477	GRYPPCGTXSPBKI-VXGBXAGGSA-N	215.337	1.647	70	20	BDID	
NCC[C@H]1CCN(CC2CCOCC2)C1	160043605	TVVZGPGGHPOVTJ-NSHDSACASA-N	212.337	1.084	70	20	BDID	
Cc1cnccc1CNC[C@@H]1CCOC1	160601955	RTOKNISFRDHRLN-NSHDSACASA-N	206.289	1.516	70	20	BDID	
CN(CCOc1ccccc1)C(=O)C(F)F	217594151	XFEPIZWCYLANII-UHFFFAOYSA-N	229.226	1.789	70	20	BDID	
NCCCNC(=O)C(F)(F)c1ccccc1	160073101	VDFVQSGNUCTHCU-UHFFFAOYSA-N	228.242	1.243	70	20	BDID	
CC[C@H](C)OCC(=O)N(C)C[C@@H]1CCCCO1	160421077	KWYYEQZNGJFOMG-RYUDHWBXSA-N	243.347	1.829	70	20	BDID	
CCCC[C@@H](COC)NC(=O)C[C@@H]1CCCN1	159654481	UCIIXCSZYPVRLG-RYUDHWBXSA-N	242.363	1.450	70	20	BDID	
CS[C@H](C)CNC(=O)NCCn1cccc1	159943753	FNLBOHUFZHEEDA-SNVBAGLBSA-N	241.360	1.539	70	20	BDID	
CCN(CC=C(C)C)[C@H]1CCS(=O)(=O)C1	160846312	BNEVEOHLVBOYNU-NSHDSACASA-N	231.361	1.462	70	20	BDID	
C[C@H]1CN(C(=O)c2ccccc2N)C[C@H](C)N1	161276608	NLQLOPFUNBQNEK-UWVGGRQHSA-N	233.315	1.091	70	20	BDID	
CC(C)[C@H](C)C(=O)N1CCC[C@@](C)(O)C1	161026908	KCUQENFNFAOQAR-CMPLNLGQSA-N	213.321	1.652	70	20	BDID	
CCN(C)C(=O)c1ccc(S(=O)(=O)F)cc1	864239024	ZAWPXNKTJUTNAL-UHFFFAOYSA-N	245.275	1.437	70	20	BDID	
Cc1cc(S(=O)(=O)F)c(C)cc1[N+](=O)[O-]	675052012	QYXLVHUACYPIKH-UHFFFAOYSA-N	233.220	1.870	70	20	BDID	
CCCCOCCNC(=O)C1(CCOC)CC1	161040606	QTOQXFHJCPDRTD-UHFFFAOYSA-N	243.347	1.736	70	20	BDID	
CC(C)(N)CNC(=O)c1cc(C(C)(C)C)on1	160028107	KHJZTIZAOUUZGB-UHFFFAOYSA-N	239.319	1.439	70	20	BDID	
CCCC1(CNC(=O)[C@@H](C)S(C)(=O)=O)CC1	160693022	DZAIHFYOBNYWLK-SECBINFHSA-N	247.360	1.116	70	20	BDID	
CCc1nc(CN2CCC[C@H]2C(C)(C)O)n[nH]1	159414528	ZBFACKWILRABGF-VIFPVBQESA-N	238.335	1.102	70	20	BDID	
CC[C@H]1CCCN(C(=O)N[C@@H]2CCOC2)C1	159443772	URWQTRABHKUMPU-WDEREUQCSA-N	226.320	1.607	70	20	BDID	
COc1cccc(CNC(=O)[C@@H]2CCCCO2)c1	159713377	ZEAJOUBXNOYKER-ZDUSSCGKSA-N	249.310	1.881	70	20	BDID	
CCCC(=O)NCCc1cccc(O)c1	160172418	LRELZOJLODQOSQ-UHFFFAOYSA-N	207.273	1.851	70	20	BDID	
C[C@@H](N)C(=O)N1CCCC2(CCCCC2)C1	159858703	UGRNLCVBIYIZED-LLVKDONJSA-N	224.348	1.907	70	20	BDID	
CCCn1nccc1CN[C@@H]1C[C@H]2CC[C@@H]1O2	160180988	JUVGHPKFXFOMGG-UPJWGTAASA-N	235.331	1.703	70	20	BDID	
Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)c1	160752050	KLLNZQIKMGFBOA-OKILXGFUSA-N	244.338	1.962	70	20	BDID	
CCOC(=O)CNC(=O)[C@H]1CCC[C@H](C)C1	161060774	XPIGUOLKCIAZLW-UWVGGRQHSA-N	227.304	1.492	70	20	BDID	
Cc1cnccc1CNC[C@@H]1CCCO1	160590901	GYHJJRMEEGJQSR-LBPRGKRZSA-N	206.289	1.659	70	20	BDID	
CCCC[C@H](Sc1nnc(C)[nH]1)C(=O)OC	160592671	HTHBRAYKQSUSKA-QMMMGPOBSA-N	243.332	1.937	70	20	BDID	
COCCC1(C(=O)N[C@H](CO)CC(C)C)CC1	160706817	LPABHHGRAJNAGL-NSHDSACASA-N	243.347	1.326	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)CC1CCC1	161151752	ALIAXXFYDFIMPC-LLVKDONJSA-N	213.321	1.700	70	20	BDID	
CC(C)C1CCN(C(=O)[C@]2(F)CCNC2)CC1	161271600	HMKRLUIAZNGTJR-ZDUSSCGKSA-N	242.338	1.583	70	20	BDID	
COC[C@H](C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1	161288284	ARUHKDBDCILCCA-DTWKUNHWSA-N	239.319	1.048	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1occc1C	160793770	KNEMZDLVAAKMLB-SECBINFHSA-N	239.271	1.660	70	20	BDID	
C[C@@H](N)C(=O)N1CCO[C@](C)(c2ccccc2)C1	159645891	QXPJIXXKEQZAQL-RISCZKNCSA-N	248.326	1.108	70	20	BDID	
NC(=O)[C@H]1CCCN1Cc1coc2ccccc12	160319507	LMBMDGYJRHKPPR-GFCCVEGCSA-N	244.294	1.883	70	20	BDID	
CCOCC(=O)NCc1ccncc1C	160681479	SOVRQEXYAOPEQF-UHFFFAOYSA-N	208.261	1.043	70	20	BDID	
C[C@H]1CN(S(=O)(=O)Cl)C[C@@H](C)S1	112134809	JDVSNQIQGBDNPL-OLQVQODUSA-N	229.754	1.296	70	20	BDID	
Cc1nccn1CCS[C@H](C)CO	161007439	JUOXNSAECCBGGV-MRVPVSSYSA-N	200.307	1.306	70	20	BDID	
CCN(CC)C(=O)c1ccc(OCCO)cc1	160006074	BBPWGKQCUGOJPL-UHFFFAOYSA-N	237.299	1.540	70	20	BDID	
CCc1nc(CN[C@@H](C)c2c(C)noc2C)n[nH]1	160438053	QMKRQLKSGJWVKF-ZETCQYMHSA-N	249.318	1.823	70	20	BDID	
C[C@H]1CC[C@@H](C(=O)NCCc2cccc(O)c2)O1	159674184	CPTCCLXKCFKJAI-GWCFXTLKSA-N	249.310	1.618	70	20	BDID	
CCS[C@H]1CCCCN(C(=O)CCCN)C1	159767814	NZOTZJYITWYKOX-NSHDSACASA-N	244.404	1.860	70	20	BDID	
CC(C)n1ccc(CS(=O)(=O)Cl)n1	113264217	ZXRNRPJEXUFZDR-UHFFFAOYSA-N	222.697	1.533	70	20	BDID	
CN(Cc1cccn1C)C(=O)C1CCOCC1	160764163	WCYKQCKMWLFIKE-UHFFFAOYSA-N	236.315	1.410	70	20	BDID	
CC[C@@H]1CCN(C(=O)N[C@H]2CCOC2)C1	159433403	DBIHIOZADHJPRN-ZJUUUORDSA-N	212.293	1.217	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)CCOCCOC	159560426	UXDGYRZKSJKNPG-RYUDHWBXSA-N	243.347	1.734	70	20	BDID	
Cn1ncc(Cl)c1CS(=O)(=O)Cl	307439992	WOXKJQJCGKAGFQ-UHFFFAOYSA-N	229.088	1.142	70	20	BDID	
CC(C)N(C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160350190	HUWKJRSSDFBFMK-NEPJUHHUSA-N	240.347	1.994	70	20	BDID	
O=C(OCc1cncs1)[C@@H]1C[C@@H]2CC[C@@H]1O2	159575363	JUYFGZBPMLMUMH-SFGNSQDASA-N	239.296	1.754	70	20	BDID	
CNC(=O)CCN1CCC[C@H]1c1cccc(C)n1	159870575	PMIPZCOZQNSCGN-ZDUSSCGKSA-N	247.342	1.663	70	20	BDID	
CC(C)C(=O)NCCCN[C@@H](C)c1cccnc1	159981794	XJNQUNMYVOXGBY-LBPRGKRZSA-N	249.358	1.895	70	20	BDID	
CC1(C)C[C@H](Nc2ncccn2)CCO1	160679636	KIFUHNPAIXTVKY-SECBINFHSA-N	207.277	1.846	70	20	BDID	
C[C@@H]1CC[C@@H](C)N(S(=O)(=O)Cl)C1	114641579	SYJDOIGIKCDIEF-RNFRBKRXSA-N	211.714	1.590	70	20	BDID	
COC[C@H](NC(=O)Nc1ccc(C)nc1)C1CC1	161164117	LJRPSJOMHCYQIG-LBPRGKRZSA-N	249.314	1.937	70	20	BDID	
Cc1cccnc1NC(=O)[C@@H]1CCCCO1	160084171	UIIHVZVVCQUKJK-JTQLQIEISA-N	220.272	1.898	70	20	BDID	
C/C(=C/c1ccccc1)CN1CCNC(=O)C1	160501342	UNYKHEDOMQDUBM-XFXZXTDPSA-N	230.311	1.522	70	20	BDID	
Cc1cc(C(=O)N(C)Cc2cccn2C)on1	160522518	BAWDBIUSJGXVOH-UHFFFAOYSA-N	233.271	1.594	70	20	BDID	
Cc1nc2n(n1)C[C@H](N[C@@H](C(C)C)C1CC1)CC2	160545382	OYOZAFGDYRNXDO-OCCSQVGLSA-N	248.374	1.926	70	20	BDID	
Cc1cc(NC(=O)Cc2ccsc2)c[nH]c1=O	159495999	YIXVBYNXCYYSLJ-UHFFFAOYSA-N	248.307	1.926	70	20	BDID	
CSCC[C@H](C)N(C)C(=O)[C@@]1(F)CCNC1	159723361	XJKZXFCOSSVOED-GXSJLCMTSA-N	248.367	1.288	70	20	BDID	
CS[C@H](C)CNC(=O)CNCC(F)(F)F	159467425	SRYVVQMUWYXEIW-ZCFIWIBFSA-N	244.282	1.006	70	20	BDID	
COC[C@H](C)NC(=S)N(C)[C@@H]1CCSC1	160047107	DLBIIAUFSUPBRU-DTWKUNHWSA-N	248.417	1.333	70	20	BDID	
CC1CCN(C(=O)N2C[C@@H](C)OC[C@H]2C)CC1	160360303	RVOZQNYJNBOVIY-VXGBXAGGSA-N	240.347	1.948	70	20	BDID	
C[C@H](O)CN(C)[C@@H](C)c1nc(C(C)(C)C)no1	159430638	KFPQWMBJPZRGSM-IUCAKERBSA-N	241.335	1.741	70	20	BDID	
CC[C@H](CSC)N[C@@H]1CCC[C@@H](N)C1	217327757	CGJXJNQAQLNWOU-GMTAPVOTSA-N	216.394	1.988	70	20	BDID	
C[C@H](N)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F	161018885	LUAMPLPTCPHPQA-BYULHYEWSA-N	240.253	1.284	70	20	BDID	
O=C(NCC1(C2CC2)CC1)C1CCOCC1	160163021	VVCXWBOBYOSYKO-UHFFFAOYSA-N	223.316	1.719	70	20	BDID	
CC(=O)N1CC[C@H](NC(=O)[C@H]2CC=CCC2)C1	159689018	SLKBPNQDUBNGDR-RYUDHWBXSA-N	236.315	1.080	70	20	BDID	
O=C(N[C@H]1CCOC1)N1CCc2ccccc2C1	159366265	FNYKDTRPSHYQSE-ZDUSSCGKSA-N	246.310	1.543	70	20	BDID	
CN(CCc1ccccc1)C(=O)N[C@@H]1CCOC1	159378191	CQJGFTMOPYXKKC-CYBMUJFWSA-N	248.326	1.659	70	20	BDID	
C[C@@H]1CC(NC(=O)NC2CC=CC2)C[C@@H](C)O1	159983151	NTXRBWRJTICCDB-NXEZZACHSA-N	238.331	1.960	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(=O)[nH]n1	159607858	CWTPRFZKCBGZTQ-IUCAKERBSA-N	235.287	1.078	70	20	BDID	
COC[C@@H](O)CNC/C=C\c1ccccc1	217221826	YSLASXYDVDLQSG-UJZCVKTISA-N	221.300	1.297	70	20	BDID	
C[C@H](N)C(=O)N[C@H]1c2ccccc2C[C@@H]1C	159880865	JZEDQGPXBHPLOZ-HOTUBEGUSA-N	218.300	1.383	70	20	BDID	
C[C@@H](CCO)CNC(=O)c1cc2ccccn2c1	161068562	PXENFDJHQKFUKX-NSHDSACASA-N	246.310	1.688	70	20	BDID	
CC[C@H](C)OCC(=O)N(C)C[C@@H]1CCOC1	161396217	GRVGLZARTDOAAM-QWRGUYRKSA-N	229.320	1.296	70	20	BDID	
CCN1CCC[C@H]1CNC(=O)C(C)(C)COC	160331518	DXQFMGCAHRCFOL-NSHDSACASA-N	242.363	1.260	70	20	BDID	
CCCCS[C@@H](C)C(=O)N(C)[C@H](C)CO	160414843	YZPRXXQMEZDOHB-ZJUUUORDSA-N	233.377	1.747	70	20	BDID	
CC[C@H](O)CCNC(=O)N[C@@H](C)C(C)C	160677008	JDINWQLYKDRJDA-UWVGGRQHSA-N	216.325	1.491	70	20	BDID	
CC(C)OCC(=O)NOCC(F)(F)F	159434843	WOHDNCYGFDZKHF-UHFFFAOYSA-N	215.171	1.022	70	20	BDID	
C[C@@H]1CCN(S(=O)(=O)C2CC2)C[C@H](C)C1	159735277	ZLENQMMUCBKHNF-NXEZZACHSA-N	231.361	1.847	70	20	BDID	
CC(C)(C)CNC(=O)[C@@]1(C)CCCCN1	159563792	RKVOHQPALMFKPH-GFCCVEGCSA-N	212.337	1.681	70	20	BDID	
CCSCCN1CCOCC1(C)C	159519914	KFZAOLOBFLFTQO-UHFFFAOYSA-N	203.351	1.850	70	20	BDID	
Cc1ccc(CNC(=O)N(C)CCO)cc1	217315167	YVUTVTPHAPVOFW-UHFFFAOYSA-N	222.288	1.129	70	20	BDID	
C[C@@H](CNC(=O)c1cccc(F)n1)C1CC1	160701000	QAUKIHACUAUXLW-QMMMGPOBSA-N	222.263	1.997	70	20	BDID	
C[C@@]1(O)CCCN(C(=O)[C@@H]2CCSC2)C1	161027666	CZCPJFKTFOALHQ-MWLCHTKSSA-N	229.345	1.113	70	20	BDID	
COCc1sccc1S(=O)(=O)Cl	536961243	WMLMDHICBQKKCZ-UHFFFAOYSA-N	226.706	1.822	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H]1CCCS1	160170930	YKABRAUHDPFEOH-RKDXNWHRSA-N	245.344	1.340	70	20	BDID	
CCN(CCOCC1CC1)CCC(=O)OC	159850739	ZJIUYFICCARPGV-UHFFFAOYSA-N	229.320	1.298	70	20	BDID	
c1cnc(N[C@H]2CCO[C@@H](C3CC3)C2)cn1	160289083	BHNUSXQQYKBCFT-WDEREUQCSA-N	219.288	1.846	70	20	BDID	
CC[C@@H](C)C(=O)NC[C@]1(C)CCCNC1	159957947	UXZFRIZLUOTPFN-ZYHUDNBSSA-N	212.337	1.538	70	20	BDID	
CCCCCC(=O)NCC1=CCNCC1	160511838	TZSQUPWUMOPRAP-UHFFFAOYSA-N	210.321	1.603	70	20	BDID	
CCC(N)(CC)CNC(=O)[C@@H](C(C)C)N(C)C	160444138	ARBSFIKSJQCRHZ-LLVKDONJSA-N	243.395	1.206	70	20	BDID	
CC(=O)NCC(=O)NCCCSCC(C)C	160649675	PBWHGYITHHJBLK-UHFFFAOYSA-N	246.376	1.018	70	20	BDID	
COC(=O)C1(N(C)CCC(C)(C)O)CCCC1	159366864	RGXYRJSFSPTKSB-UHFFFAOYSA-N	243.347	1.565	70	20	BDID	
O=C(/C=C\c1ccco1)NC[C@@H]1CCCCN1	217436535	LNVGYUHBEAQYKM-ZADCQDASSA-N	234.299	1.551	70	20	BDID	
CCOC(C)(C)CNC(=O)c1ccco1	159783708	MGQCFGUYCZRBSD-UHFFFAOYSA-N	211.261	1.825	70	20	BDID	
COC[C@@H](C)NC(=S)N[C@@H](C)CC(C)C	159572369	FAXAZUYAELHDFD-VHSXEESVSA-N	232.393	1.920	70	20	BDID	
CC(C)(C)NC(=O)NCC1=CCNCC1	160517373	XYVJJXIETHNCPC-UHFFFAOYSA-N	211.309	1.004	70	20	BDID	
CC1CC(N[C@H]2C[C@H](C)N(C3CC3)C2)C1	160856796	LPYNNIKNPRRQKL-ADPBJBESSA-N	208.349	2.000	70	20	BDID	
COC(=O)c1ccc(CS(=O)(=O)Cl)o1	106212600	HULBGLWLWHGZTM-UHFFFAOYSA-N	238.648	1.135	70	20	BDID	
C[C@H](CN)CNC1C2CC3CC(C2)CC1C3	216873861	XVXVMTSAPNGIKT-UIBFTYAWSA-N	222.376	1.996	70	20	BDID	
CCc1nc(CN(C)[C@H](C)c2cccnc2)n[nH]1	159615148	BBRNCYADBIEJHH-SNVBAGLBSA-N	245.330	1.955	70	20	BDID	
O=C(Nc1ccsc1)N[C@@H]1CCOC1	159470615	LKXHPBLYDKTXEF-SSDOTTSWSA-N	212.274	1.659	70	20	BDID	
CC(=O)Nc1ccccc1OS(=O)(=O)F	1887504296	KUECAHUSKAFFSP-UHFFFAOYSA-N	233.220	1.238	70	20	BDID	
Cc1cnccc1CN[C@H]1CCCNC1	160595472	AGZWYJPBCBJUBB-LBPRGKRZSA-N	205.305	1.232	70	20	BDID	
Cc1cc(C[C@@H](C)NC(=O)C2CCCC2)n[nH]1	161330538	UTGDCURPNQALQH-SECBINFHSA-N	235.331	1.956	70	20	BDID	
COC(=O)NCCC(=O)NCC1(C2CC2)CC1	160036174	BZMMRQDBMVWIBN-UHFFFAOYSA-N	240.303	1.039	70	20	BDID	
CC[C@@H]1COCCN1Cc1cnc2ccccn12	160463636	DHAQCRLKZYDGKZ-GFCCVEGCSA-N	245.326	1.945	70	20	BDID	
CC[C@]1(C)C[C@H]1C(=O)N(C)CC(=O)NC(C)C	160112530	BOMHNWMGXAVWNY-GXFFZTMASA-N	240.347	1.406	70	20	BDID	
NC[C@H]1CCCN1C(=O)CCC1CCC1	160331435	GMIHFYWLJIEKKU-LLVKDONJSA-N	210.321	1.516	70	20	BDID	
CCCCO[C@H](C)C(=O)N1CCC[C@@H]1CNC	161347131	IFKYTVXTKDUTTJ-VXGBXAGGSA-N	242.363	1.402	70	20	BDID	
CN[C@@H]1CCN(C(=O)CSCCC(C)C)C1	160712045	NZKLYAYYSJGYDH-LLVKDONJSA-N	244.404	1.586	70	20	BDID	
CS[C@H](C)C(=O)N(C)Cc1cccn1C	160870249	IJUAQCKGAIQWEM-SECBINFHSA-N	226.345	1.735	70	20	BDID	
CCOCCCC(=O)N(C)Cc1cccn1C	160871176	YZNOHZAIABFAAD-UHFFFAOYSA-N	238.331	1.800	70	20	BDID	
CC(C)[C@H](C)NC(=O)[C@@]1(C)CCCCN1	159556492	IRRSAGDAIVIKIF-CMPLNLGQSA-N	212.337	1.679	70	20	BDID	
CCCN(CCSCC)CC(=O)N(C)C	159497860	KNMJNLQZQHEVSW-UHFFFAOYSA-N	232.393	1.540	70	20	BDID	
CCOCCSCCn1ccnc1	160158380	XKDFNYQHWIMXMT-UHFFFAOYSA-N	200.307	1.653	70	20	BDID	
Cc1ccc(CN(C)Cc2cnnn2C)cc1	160634825	XZCOBJRXGVLLAF-UHFFFAOYSA-N	230.315	1.756	70	20	BDID	
CSC[C@@H](C)N[C@H]1CCCOCC1	161452570	FPPKDYMHKMOIQH-ZJUUUORDSA-N	203.351	1.897	70	20	BDID	
CCc1ncnc(NC[C@@H](C)CO)c1F	217987565	GOUDLDNXUWUJLQ-SSDOTTSWSA-N	213.256	1.218	70	20	BDID	
Cc1ncncc1C(=O)N1CCOC[C@H]1C1CC1	161291847	WHYPLGUBWLKUAD-LBPRGKRZSA-N	247.298	1.036	70	20	BDID	
C[C@@H](Cc1ccccc1F)C(=O)NCCCN	160151833	GLJVJSFSOWAASY-JTQLQIEISA-N	238.306	1.469	70	20	BDID	
CCOc1cccc(C(=O)N2CC[C@@H](N)C2)c1	160285335	NYSBRIUNRUQDMV-LLVKDONJSA-N	234.299	1.259	70	20	BDID	
CC1(CNC(=O)N[C@@H]2CCOC2)CCCC1	159404070	GHFCYDFHEHWCPB-SNVBAGLBSA-N	226.320	1.655	70	20	BDID	
O=S(=O)(OC[C@@H]1CCCCO1)C(F)(F)F	148513252	FMNLRKSSDOVZMF-LURJTMIESA-N	248.222	1.422	70	20	BDID	
COCC(C)(C)C(=O)NCCCOCC1CC1	160230582	IEKMBNKNHHCSAC-UHFFFAOYSA-N	243.347	1.592	70	20	BDID	
CC(=O)Nc1ccc(CS(C)(=O)=O)c(F)c1	160303448	IZDLYHQHPWJSJD-UHFFFAOYSA-N	245.275	1.329	70	20	BDID	
CCN(C)C(=O)N[C@H]1CCO[C@H](C2CC2)C1	160483830	KLDIHADDJXULIU-QWRGUYRKSA-N	226.320	1.605	70	20	BDID	
CCOCCN[C@@H](C)c1cscn1	161157139	GPVPIACEVMRFHZ-QMMMGPOBSA-N	200.307	1.830	70	20	BDID	
COc1cc(C)nc(CS(=O)(=O)Cl)c1	125949147	BRXSAYZMVYPFDD-UHFFFAOYSA-N	235.692	1.467	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)CCn1cncn1	159646307	CYRLVMHIGAUIJF-MNOVXSKESA-N	236.319	1.363	70	20	BDID	
N[C@H]1CCN(Cc2cc(O)cc(F)c2)C1	159743039	ZSQOKZJVGJGNEE-JTQLQIEISA-N	210.252	1.064	70	20	BDID	
CC1=CCN(C(=O)CNC(C)(C)C)CC1	160183776	TVQJTDZDJQJNRT-UHFFFAOYSA-N	210.321	1.553	70	20	BDID	
CCNC(=O)Cc1ccc(S(=O)(=O)F)cc1	1337875625	IVOWRLSXXDSYLX-UHFFFAOYSA-N	245.275	1.023	70	20	BDID	
CCNCCNCc1cc(F)ccc1F	161287434	SOQVHNSXXBPUNN-UHFFFAOYSA-N	214.259	1.664	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)CNC(=O)OC	159760111	GSHYAESUQHWQCB-RKDXNWHRSA-N	228.292	1.037	70	20	BDID	
CC(C)n1cc(NC(=O)N[C@@H]2CCOC2)cn1	159393264	GXAPPTLJBVLOCJ-SECBINFHSA-N	238.291	1.374	70	20	BDID	
OCCNCC1CCC(C(F)(F)F)CC1	161130311	MLZRUQDFUAJNIC-UHFFFAOYSA-N	225.254	1.937	70	20	BDID	
CCC(CC)CNC(=O)[C@H]1CCn2ccnc2C1	161433558	QJVUHJIIJARLDK-LBPRGKRZSA-N	249.358	1.998	70	20	BDID	
C[C@@]1(C(=O)NCC(F)(F)F)CCCCN1	159568371	RKCVPWFTSUUWGM-QMMMGPOBSA-N	224.226	1.197	70	20	BDID	
CCCN(CCC(=O)OCC)[C@@H]1CCNC1	218257270	LQWPCQYCUXUCMI-LLVKDONJSA-N	228.336	1.014	70	20	BDID	
CCN(CC)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1354032565	YOKACGDBYQTWMI-UHFFFAOYSA-N	248.279	1.155	70	20	BDID	
CC(C)c1c(CS(=O)(=O)Cl)nnn1C	216995591	BUTQXUNQBUGPHX-UHFFFAOYSA-N	237.712	1.007	70	20	BDID	
Cc1cnc(SCc2nnc(C)n2C)nc1	161030200	ZTIGYZRRQAXCKH-UHFFFAOYSA-N	235.316	1.514	70	20	BDID	
CC(C)c1cc(C(=O)NC2(CO)CC2)no1	160296373	RYAVXVMKUSEUIH-UHFFFAOYSA-N	224.260	1.053	70	20	BDID	
CCc1cc(NC(=O)NOCC(C)C)n(C)n1	160353929	HLXNOMHAJRLCMC-UHFFFAOYSA-N	240.307	1.692	70	20	BDID	
CCCC1(CNC(=O)CCn2cncn2)CC1	160760726	ISAFSOGQZZOSNA-UHFFFAOYSA-N	236.319	1.365	70	20	BDID	
Cc1cccc(C(=O)NCc2nncn2C)c1F	161451240	VJAMEYPGAUWJGT-UHFFFAOYSA-N	248.261	1.193	70	20	BDID	
CO[C@H](C)C(=O)NCCCSCC(C)C	160702000	JFDAQZHVMDMIRS-SNVBAGLBSA-N	233.377	1.917	70	20	BDID	
CCC[C@@H](C)CC(=O)NC[C@@H](C)CCO	160923054	KCIQQJAUJQOGCF-MNOVXSKESA-N	215.337	1.947	70	20	BDID	
CN(C(=O)CCCc1nc(C2CC2)no1)C1CC1	159679525	VSJHMZXWNGZAQA-UHFFFAOYSA-N	249.314	1.891	70	20	BDID	
CCN1CCC(NC(=O)C2(C)CC2)CC1	159586005	FPHOOPULTRNUSU-UHFFFAOYSA-N	210.321	1.387	70	20	BDID	
Fc1cccc(N2CCC(n3ccnn3)CC2)n1	160235013	MYOLFKCQFMVKGR-UHFFFAOYSA-N	247.277	1.654	70	20	BDID	
C[C@H]1[C@H](C)CCC[C@H]1N[C@H](C)CC(N)=O	218538039	MPDFYRNUWRITKB-CHWFTXMASA-N	212.337	1.665	70	20	BDID	
CCC[C@@H]1C[C@@H](S(=O)(=O)Cl)CCO1	112132179	WTBYSCKWNAXNBO-SFYZADRCSA-N	226.725	1.903	70	20	BDID	
CCC(=O)c1cccc(NC(=O)CN(C)C)c1	160723382	XJNLARNTZJETKR-UHFFFAOYSA-N	234.299	1.779	70	20	BDID	
C[C@@H](CCO)NC(=O)NCC1(C)CCCC1	159471900	HXXWHEDLIGJJMX-JTQLQIEISA-N	228.336	1.637	70	20	BDID	
C[C@@H](N[C@@H]1CCOC1=O)c1cccc(F)c1F	159517466	JDORKSACFUMKQU-GMSGAONNSA-N	241.237	1.931	70	20	BDID	
CCCCCC(=O)N(CC(N)=O)CC(C)C	159742865	ZUELPXZRCMACNU-UHFFFAOYSA-N	228.336	1.537	70	20	BDID	
CCCCSCCC(=O)N1CCC[C@@H](O)C1	159591522	NHPHRITYBFPBTG-LLVKDONJSA-N	245.388	1.893	70	20	BDID	
COCC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl	217655052	QBTDPXPOWFZOIU-GXSJLCMTSA-N	239.702	1.959	70	20	BDID	
COc1cccc(CN(C)C(=O)C(F)F)c1	217593999	BPEZRKKLZBAMOQ-UHFFFAOYSA-N	229.226	1.919	70	20	BDID	
CCNC(=O)C(C)(C)CNc1ccnc(C)n1	161329657	KFDUSBGJXZWODN-UHFFFAOYSA-N	236.319	1.359	70	20	BDID	
CCN(C)CCNC(=O)[C@H](C)c1ccsc1	160150153	MENIMOAAOODTEU-SNVBAGLBSA-N	240.372	1.920	70	20	BDID	
Cc1ncsc1CNC(=O)N[C@H]1CCOC1	159401074	BZOPTUKFMNFSEQ-QMMMGPOBSA-N	241.316	1.040	70	20	BDID	
O=S(=O)(F)Oc1cccc2c1CCC[C@@H]2O	1887503638	FSWXFHJZBZQRCL-VIFPVBQESA-N	246.259	1.649	70	20	BDID	
CNC(=O)CN1CCC[C@@H]1c1cccc(C)n1	160297884	YXOFAYVGBRGTED-GFCCVEGCSA-N	233.315	1.273	70	20	BDID	
CC(C)CCNC(=O)c1ncccc1F	217748701	SRERTENJSHXCQM-UHFFFAOYSA-N	210.252	1.997	70	20	BDID	
O=S(=O)(Cl)N1CC[C@H]2CCCC[C@@H]21	133551675	HSPTUOVEOPBNFK-SFYZADRCSA-N	223.725	1.735	70	20	BDID	
C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C1CC1	161258657	SVSDLVCHUIZPMZ-MFKMUULPSA-N	232.327	1.471	70	20	BDID	
Cc1cc(C(=O)N(C)Cc2cscn2)ncn1	160036844	OXLTXLLMQVJAHD-UHFFFAOYSA-N	248.311	1.514	70	20	BDID	
COCC[C@@H](C)N[C@H](CCO)CSC	160377040	FJGCFCMZXBEPJX-NXEZZACHSA-N	221.366	1.115	70	20	BDID	
CC[C@@H](N[C@H](C)C(N)=O)c1ccc(F)cc1F	160694477	LPCKFCOTDULFHM-RDDDGLTNSA-N	242.269	1.879	70	20	BDID	
CC(C)[C@@H](N)C(=O)NC[C@@H]1CCc2ccccc21	159733278	BQGGZGASEQCEFU-GXTWGEPZSA-N	246.354	1.816	70	20	BDID	
C[C@H](O)C[C@@H](C)CNC(=O)[C@@H]1CCCCO1	159828767	VKIBBWAYKGFRJK-VWYCJHECSA-N	229.320	1.079	70	20	BDID	
COC[C@@H](N[C@H](CCO)CSC)C1CC1	160430110	RBQKSJMHJSWXLX-GHMZBOCLSA-N	233.377	1.115	70	20	BDID	
CCN(C)C(=O)N1CC[C@@H](N2CCCCC2)C1	160558385	HXBMOABVGVHTNP-GFCCVEGCSA-N	239.363	1.618	70	20	BDID	
CC1(NC(=O)c2cscn2)CCNCC1	160574579	YTFJKBNBISZCDR-UHFFFAOYSA-N	225.317	1.015	70	20	BDID	
C[C@@H](CN)CNC1C2CC3CC(C2)CC1C3	216873817	XVXVMTSAPNGIKT-FTPDJBBVSA-N	222.376	1.996	70	20	BDID	
Cc1nc(CS(=O)(=O)Cl)sc1C	148720084	WOJUKGFUFLFWNS-UHFFFAOYSA-N	225.722	1.829	70	20	BDID	
Cc1ccnc(N2CCN(C(=O)C3CC3)CC2)c1	161119244	XOJKSYBCXIKJIA-UHFFFAOYSA-N	245.326	1.449	70	20	BDID	
CCN(C(=O)CS(=O)(=O)C(C)(C)C)C(C)C	161473414	DFEXQSIAWLXPDG-UHFFFAOYSA-N	249.376	1.457	70	20	BDID	
CCN1CCC[C@@H]1CNC(=O)C(C)(C)COC	160331391	DXQFMGCAHRCFOL-LLVKDONJSA-N	242.363	1.260	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1ccccn1	160768409	XPZJCUHSGMCNOG-VIFPVBQESA-N	236.271	1.153	70	20	BDID	
CS[C@@H](C)CC(=O)N[C@H](CO)CC(C)C	160845525	CJCHRLVRHQXLIW-UWVGGRQHSA-N	233.377	1.651	70	20	BDID	
CC[C@H](C)OCC(=O)Nc1c[nH]c(=O)c(C)c1	159845373	BDERFJVTHVFQMY-VIFPVBQESA-N	238.287	1.437	70	20	BDID	
Cc1cc(NC(=O)[C@@H]2C[C@@H]2C2CC2)c[nH]c1=O	159677343	ZMLSIOFBAYZSHU-GHMZBOCLSA-N	232.283	1.668	70	20	BDID	
CC1(C(=O)NCC2(N)CCCCC2)CCC1	159587970	JXLOEDLJSJZUAY-UHFFFAOYSA-N	224.348	1.954	70	20	BDID	
CCC[C@@H](C)CC(=O)NCC(C)(C)N	160029702	SBVBNCYJROJRMN-SECBINFHSA-N	200.326	1.666	70	20	BDID	
Cc1cc(CN(C)CCn2ccnc2)no1	159742980	QASHRCXBPDUANH-UHFFFAOYSA-N	220.276	1.312	70	20	BDID	
CC[C@@H](O)CCN[C@@H]1CCCOCC1	161472249	KZAIATAMJBYIQJ-GHMZBOCLSA-N	201.310	1.306	70	20	BDID	
CCC(CC)CNCCNCCOC	161495905	MOOHVZQAYZOCGG-UHFFFAOYSA-N	202.342	1.248	70	20	BDID	
CC(C)(C)c1cnc([S@@](=O)CC(N)=O)s1	160467985	NHKDPHFNQNZEMS-OAHLLOKOSA-N	246.357	1.034	70	20	BDID	
CC[C@@H](C)OCC(=O)NCc1ccnc(C)n1	159818855	ZEWRRNPQAHAGHA-SECBINFHSA-N	237.303	1.216	70	20	BDID	
O=C(NCCO)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	159512533	ILAOXPAXKNBNLU-ITSCGTHASA-N	241.306	1.403	70	20	BDID	
CCSCCNC(C)(C)C(=O)OC	159528759	SDNLYVHIDDLWNN-UHFFFAOYSA-N	205.323	1.281	70	20	BDID	
CCOc1ccccc1N(C)CC(=O)OC	159371333	GJHNBLMHVCNPAT-UHFFFAOYSA-N	223.272	1.695	70	20	BDID	
O=C(Nc1cccc(F)c1)N[C@@H]1CCOC1	159390819	MKNPUWMGDGVOEZ-SNVBAGLBSA-N	224.235	1.736	70	20	BDID	
COCCCNC(=O)c1ccc[nH]c1=S	218525584	HEAQHPWURBYTNO-UHFFFAOYSA-N	226.301	1.510	70	20	BDID	
CCOC(C)(C)CNC(=O)c1cncc(O)c1	159487752	GIMKAKHUCBNQQA-UHFFFAOYSA-N	238.287	1.332	70	20	BDID	
C[C@]1(NC(=O)OCC(F)(F)F)CCOC1	159969608	XCUWKUIKKLFMTM-ZETCQYMHSA-N	227.182	1.454	70	20	BDID	
Fc1cncc(CNCC(F)(F)F)c1	160125201	RXRATVKVRIRUNC-UHFFFAOYSA-N	208.158	1.873	70	20	BDID	
N[C@@H]1CCC[C@H](NC(=O)c2cccs2)C1	160973238	VHNNWQVSADQKBV-BDAKNGLRSA-N	224.329	1.748	70	20	BDID	
CC(C)[C@H](O)CN[C@@H](C)c1cscn1	161201345	FSEKWBUFJIBTAJ-WCBMZHEXSA-N	214.334	1.811	70	20	BDID	
Cc1ccc(C)c(S(=O)(=O)F)c1[N+](=O)[O-]	238855305	RMVYYHFSQGNNQT-UHFFFAOYSA-N	233.220	1.870	70	20	BDID	
Cc1noc(NC(=O)c2ccccc2O)n1	161304888	CVMZWBIUXJZJCS-UHFFFAOYSA-N	219.200	1.336	70	20	BDID	
CC(C)CNC(=O)NOCc1cccnc1	160984399	LHXBSYAJUTYYJT-UHFFFAOYSA-N	223.276	1.468	70	20	BDID	
Cc1ccc(OCC[C@@H]2CCNC2)nc1	159515021	PZERYWCVNPYLHE-NSHDSACASA-N	206.289	1.768	70	20	BDID	
O=S(=O)(C1CC1)N1[C@H]2C=CC[C@H]1CC2	218756035	NYJRHISAORVCPW-IUCAKERBSA-N	213.302	1.272	70	20	BDID	
Cc1ccccc1NC(=O)N[C@H]1CCOC1	159389174	JBULNXINNVIRFJ-JTQLQIEISA-N	220.272	1.905	70	20	BDID	
CCOCCNC(=O)C[C@@H](C)SC	160010548	WAIPZYFTFMWVJN-MRVPVSSYSA-N	205.323	1.281	70	20	BDID	
N#C[C@H]1Cc2cc(S(=O)(=O)Cl)ccc2O1	97956508	GRGSWJAGSVSUTQ-SSDOTTSWSA-N	243.671	1.441	70	20	BDID	
CC1(C(=O)NS(=O)(=O)c2ccccc2)CC1	160981852	PRKUQUBUZYOPEX-UHFFFAOYSA-N	239.296	1.292	70	20	BDID	
N#Cc1cc(F)c(S(=O)(=O)F)c(F)c1	253388054	AWHJQIGZSGOKGI-UHFFFAOYSA-N	221.159	1.495	70	20	BDID	
O=S(=O)(Cl)Cc1cn2ccccc2n1	59108266	WJAZGCBJFZKPMX-UHFFFAOYSA-N	230.676	1.403	70	20	BDID	
CC[C@@]1(C)C[C@H](S(=O)(=O)Cl)CCO1	112132188	XRMCGKZZNKAATP-SFYZADRCSA-N	226.725	1.903	70	20	BDID	
Cc1cc(S(=O)(=O)F)cc(C(=O)O)c1F	238857292	YRGBGQOKAREVQG-UHFFFAOYSA-N	236.195	1.491	70	20	BDID	
Cc1cc(CN2CCNC(=O)C2)ccc1F	160495389	ZZZSPVWLXNSCOT-UHFFFAOYSA-N	222.263	1.066	70	20	BDID	
CCCN(CCC)C(=O)N[C@H]1CCOC1	159438320	CHYJSFADOXSNSF-JTQLQIEISA-N	214.309	1.607	70	20	BDID	
CCC1(O)CN(C(=O)/C=C\c2cccc(F)c2)C1	217460604	KHENIOJGBXDPGR-SREVYHEPSA-N	249.285	1.822	70	20	BDID	
COCCNC(=S)N1CC[C@@H](C)[C@H](C)C1	160870804	CHUBTBFYQWYKQL-NXEZZACHSA-N	230.377	1.485	70	20	BDID	
CCC[C@H](C)C(=O)NC[C@@](C)(O)CSC	217656338	BPAAQPPIZNLHHL-GXSJLCMTSA-N	233.377	1.653	70	20	BDID	
CCC[C@H](O)CN[C@H]1CCOC(C)(C)C1	217739674	BPIKKAGBROADHS-QWRGUYRKSA-N	215.337	1.695	70	20	BDID	
Cc1nc2ccccn2c1S(=O)(=O)Cl	212251196	KYVZYGLFBWVVLG-UHFFFAOYSA-N	230.676	1.570	70	20	BDID	
Cc1cc(C(=O)NC[C@@H]2CC=CCC2)ncn1	160707364	JDSYNBMLYMCMCZ-LLVKDONJSA-N	231.299	1.871	70	20	BDID	
CC[C@H](C)CN(C)C(=O)N[C@@H]1CCOC1	159458226	XTUZFKOZJPIIBT-VHSXEESVSA-N	214.309	1.463	70	20	BDID	
Cc1cc(NC(=O)C(C)(C)N)cnc1Cl	160239817	YCEJCYVWNCDHIR-UHFFFAOYSA-N	227.695	1.719	70	20	BDID	
O=C1CNC(=O)N1Cc1cccc(Cl)c1	217360249	UXOZKRZPINDGHH-UHFFFAOYSA-N	224.647	1.392	70	20	BDID	
CC[C@H](O)CCNCc1ncc(Cl)n1C	218773006	MREPSQJAJLCVMW-QMMMGPOBSA-N	231.727	1.324	70	20	BDID	
FC(F)COc1ccc(-n2cnnn2)cc1	159527117	SFLGPRDOBAWKAL-UHFFFAOYSA-N	226.186	1.306	70	20	BDID	
CC[C@H](CSC)NC(=O)CCC(C)=O	217333593	APJXXKCEPBUKKY-SECBINFHSA-N	217.334	1.613	70	20	BDID	
N[C@H]1CCC[C@@H](NC(=O)c2cccs2)C1	160972843	VHNNWQVSADQKBV-DTWKUNHWSA-N	224.329	1.748	70	20	BDID	
CCN(CC)CCNC(=O)N1[C@@H](C)CC[C@@H]1C	161484655	MLPICRWSYRCGMM-RYUDHWBXSA-N	241.379	1.911	70	20	BDID	
CC(C)C1(CNC(=O)[C@@]2(F)CCNC2)CC1	160821918	YGMZOJXUCRULQG-GFCCVEGCSA-N	228.311	1.240	70	20	BDID	
CNC(=O)c1c(C(C)C)nn(C)c1Cl	159821813	RPZJHZWZSGIULQ-UHFFFAOYSA-N	215.684	1.557	70	20	BDID	
NC(=O)CC1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1	159732011	FUZHVMCKUFAXOD-IHRRRGAJSA-N	248.370	1.786	70	20	BDID	
CC1(C)C[C@H](NC(=O)NCC2CC2)CCO1	161397593	NLDRMURGMJFWEF-SNVBAGLBSA-N	226.320	1.653	70	20	BDID	
CS[C@H](C)CNC(=O)N1CCCC1	159491732	YALVORGJCWOPAS-MRVPVSSYSA-N	202.323	1.543	70	20	BDID	
O=C(CCCCO)N1C[C@H]2CCC[C@@H]2C1	160516284	GGOBQCSUYLZJRE-GHMZBOCLSA-N	211.305	1.408	70	20	BDID	
CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)CNC	161384433	DFDITGSKAFNYMZ-CQSZACIVSA-N	248.370	1.994	70	20	BDID	
CCCC1(CNC(=O)c2cnns2)CC1	160679507	WGDMOPOZIZCDRT-UHFFFAOYSA-N	225.317	1.848	70	20	BDID	
CCc1ncc(NC(=O)C(C)(C)COC)cn1	160955209	LOTDSQBFRYJETG-UHFFFAOYSA-N	237.303	1.650	70	20	BDID	
Cc1cc(N[C@@H](C(N)=O)c2ccccc2)nn1C	159628406	FVDVKMUTFLJZKG-GFCCVEGCSA-N	244.298	1.367	70	20	BDID	
C[C@@]1(NC(=O)c2ccc(F)nc2)CCOC1	160210681	YCBRVLDXPHHSPX-LLVKDONJSA-N	224.235	1.130	70	20	BDID	
CCN(CCCO)C(=O)[C@@H]1CC=CCC1	160297126	CQBJJLFVUWKNMG-LLVKDONJSA-N	211.305	1.574	70	20	BDID	
COCC[C@@H](C)N1CCC[C@@](C)(O)C1	161007607	HPIAGUPCTLJFIN-GHMZBOCLSA-N	201.310	1.258	70	20	BDID	
C[C@@H](CS(=O)(=O)Cl)[C@H]1CCCCO1	216250066	JGVLYAKAFMZVII-JGVFFNPUSA-N	226.725	1.760	70	20	BDID	
CC[C@H](N[C@H](C)CO)c1ccc(F)cn1	161316334	UYRXBKRYULEMLC-SCZZXKLOSA-N	212.268	1.642	70	20	BDID	
C[C@H](Nc1ncnc2nc[nH]c12)C1CCC1	160061526	OPQMCAJNWCOERF-ZETCQYMHSA-N	217.276	1.953	70	20	BDID	
Cc1cccnc1NC(=O)[C@H]1CCCCO1	160084274	UIIHVZVVCQUKJK-SNVBAGLBSA-N	220.272	1.898	70	20	BDID	
Cc1ccc(CN2CCC[C@@H]2C(N)=O)s1	160321567	GIKAIXYXOAHXAB-SNVBAGLBSA-N	224.329	1.506	70	20	BDID	
CC(=O)Nc1nnc(-c2ccc(C)o2)[nH]1	160400115	XMGDIOZKLQXPAO-UHFFFAOYSA-N	206.205	1.332	70	20	BDID	
C[C@@H](CO)SCC(=O)c1cccn1C	160720400	UEYNQNXGBPTMIC-QMMMGPOBSA-N	213.302	1.322	70	20	BDID	
Cc1[nH]ccc1C(=O)N[C@@H]1CCC[C@H](N)C1	160798974	NSJAXQRXYXPODV-VHSXEESVSA-N	221.304	1.323	70	20	BDID	
C[C@H](N)C(=O)NC[C@@H]1CCc2ccccc21	159726899	YVZHUXYMUXXLFU-ONGXEEELSA-N	218.300	1.180	70	20	BDID	
Cc1cccc(CN2CCNC(=O)C2)c1C	160494810	BXKWFNMPERHZJF-UHFFFAOYSA-N	218.300	1.235	70	20	BDID	
CCC[C@H](O)CN[C@@H]1CCOC(C)(C)C1	217739514	BPIKKAGBROADHS-MNOVXSKESA-N	215.337	1.695	70	20	BDID	
O=C(NCC(F)(F)F)NOCc1cccnc1	161087652	XSIFSRXOGZTZSV-UHFFFAOYSA-N	249.192	1.375	70	20	BDID	
CCCc1csc(N2CCN(C)CC2)n1	160640009	XGPPVVJWWPFOQU-UHFFFAOYSA-N	225.361	1.847	70	20	BDID	
CCOC(=O)[C@H](NCCC(C)(C)O)[C@H](C)CC	159618704	NLPIRAAHDFDUOI-GHMZBOCLSA-N	245.363	1.715	70	20	BDID	
CC[C@H](O)CCN[C@H](C)c1ccccn1	159388998	FGLIZKXGEUMIHA-MNOVXSKESA-N	208.305	1.893	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1c[nH]nn1	159719685	GJTIVJZQAHSZIY-SFYZADRCSA-N	208.265	1.113	70	20	BDID	
CN(C(=O)NC1CCC1)[C@H]1CCSC1	160219938	VPDYZFQYPYEZRC-VIFPVBQESA-N	214.334	1.686	70	20	BDID	
CONC(=O)C[C@H](C)c1c(C)n[nH]c1C	159709416	WEAHBVCPARVYSW-LURJTMIESA-N	211.265	1.198	70	20	BDID	
CCC[C@@H](N)C(=O)N1CCOC[C@H]1CC(C)C	159630810	OADUACCBNHAFGF-VXGBXAGGSA-N	242.363	1.387	70	20	BDID	
CCOCCCN1CCC[C@H](OC)C1	160441012	OXZFACZDVVIILY-NSHDSACASA-N	201.310	1.524	70	20	BDID	
O=S(=O)(F)Oc1ccccc1Cl	1887576915	HULCLHJOYJXBJX-UHFFFAOYSA-N	210.613	1.933	70	20	BDID	
CCCCn1nnnc1-c1ccccn1	217685826	VDOHEHAPKMMQEF-UHFFFAOYSA-N	203.249	1.535	70	20	BDID	
CC[C@@H](C)N(C)CCN[C@@H](C)CCOC	160140708	BWGUQWBYQRKPMN-NWDGAFQWSA-N	216.369	1.731	70	20	BDID	
CC1CCN(C(=O)N2CCOC(C)(C)C2)CC1	160366608	SBDPHLRMQFSFDS-UHFFFAOYSA-N	240.347	1.949	70	20	BDID	
CCN(CCCO)C(=O)C1[C@H]2CCC[C@H]12	160310419	XAUQTQRWIGPCPO-UWVGGRQHSA-N	211.305	1.263	70	20	BDID	
O=C1CNC(=O)N1c1ccc(Cl)c(F)c1	218417899	ZPCGIRFBWYLWGD-UHFFFAOYSA-N	228.610	1.535	70	20	BDID	
O=S(=O)(Cl)[C@H]1CC[C@H]2CC[C@H]1O2	307001310	BCFOUKDNQPLFRE-QYNIQEEDSA-N	210.682	1.265	70	20	BDID	
CC[C@@H](C)OCC(=O)N(C)C[C@@H]1CCOC1	161396076	GRVGLZARTDOAAM-MNOVXSKESA-N	229.320	1.296	70	20	BDID	
CCCC1(CNC(=O)Cc2cc(C)[nH]n2)CC1	160592430	QURYCWHPRSRISI-UHFFFAOYSA-N	235.331	1.957	70	20	BDID	
CC[C@H]1CCCCN1C(=O)N[C@@H]1CCOC1	159543369	QNWDSZBZOUMOGK-MNOVXSKESA-N	226.320	1.749	70	20	BDID	
Cc1cccc(OCCNC(=O)C(F)F)c1	218092001	YYPGHMKBNZDKOX-UHFFFAOYSA-N	229.226	1.755	70	20	BDID	
CC[C@H](C(N)=O)N1C[C@@H](C)c2ccccc21	216911149	VCWIBINDIMXTDR-MWLCHTKSSA-N	218.300	1.874	70	20	BDID	
C[C@H](CC(N)=O)Nc1nc2ccccc2n1C	161086361	TVDWCZQIVUKHLX-MRVPVSSYSA-N	232.287	1.249	70	20	BDID	
CSCCN(C)C(=O)[C@@H]1OCC[C@@H]1C	161131201	JVAKRZPMZSSQMU-DTWKUNHWSA-N	217.334	1.233	70	20	BDID	
CNCCNCc1cc(Cl)ccc1OC	161274235	MARZMQSQKAYDOM-UHFFFAOYSA-N	228.723	1.658	70	20	BDID	
Cc1ccc(C(N)=O)cc1NCC1CCOCC1	160011501	OWLWHIJLYAKCRA-UHFFFAOYSA-N	248.326	1.932	70	20	BDID	
CCOCCCN1CCC(NC(C)C)CC1	160500445	AXMKDGUOHIYKDS-UHFFFAOYSA-N	228.380	1.875	70	20	BDID	
COc1c(F)cc(F)cc1S(=O)(=O)Cl	100508114	SBZMBEHJTCIYSO-UHFFFAOYSA-N	242.630	1.901	70	20	BDID	
Cc1cc(C[C@H](C)NC(=O)C2(C)CC2)n[nH]1	161110841	DYMIITXKZIXFTF-QMMMGPOBSA-N	221.304	1.565	70	20	BDID	
CCN(C)C(=O)CNc1ccc(F)c(OC)c1	160265610	FOJUEYQZIIVVIQ-UHFFFAOYSA-N	240.278	1.725	70	20	BDID	
CCCCS[C@@H](C)C(=O)N(C)[C@@H](C)CO	160414592	YZPRXXQMEZDOHB-UWVGGRQHSA-N	233.377	1.747	70	20	BDID	
COC(=O)C[C@H](C)C(=O)NCC1(C2CC2)CC1	159780751	AEJSICFLRXWYQU-VIFPVBQESA-N	239.315	1.492	70	20	BDID	
Cc1cnc(N2CCC[C@@](C)(O)C2)nc1	160846492	LHWYBOYMNFYGTA-LLVKDONJSA-N	207.277	1.136	70	20	BDID	
C[C@@H](O)[C@@H]1CCN(CCC(F)(F)F)C1	159470115	IMNDHCJTVPAVML-HTQZYQBOSA-N	211.227	1.642	70	20	BDID	
O=S(=O)(Cl)C[C@@]1(F)CCSC1	1537958546	AXLCPZILDOEZNH-RXMQYKEDSA-N	218.702	1.400	70	20	BDID	
C[C@@H](c1cnccn1)S(=O)(=O)Cl	100247534	RUZNDGBRTJAENW-YFKPBYRVSA-N	206.654	1.106	70	20	BDID	
Cc1ccc(/C=C/C(=O)N2CCC[C@H]2CN)cc1	160234455	XEBRYVUSXVNLFJ-VFNNOXKTSA-N	244.338	1.958	70	20	BDID	
COc1ccnc(N[C@H]2CCO[C@H](C3CC3)C2)n1	160289935	NMHSPENFAIPMHL-QWRGUYRKSA-N	249.314	1.855	70	20	BDID	
CCCC[C@@H](NC(=O)[C@H](C)N)C1CCC1	160779494	IOJVKPROGWYVQB-GXSJLCMTSA-N	212.337	1.809	70	20	BDID	
COCCN(C)Cc1nccn1C(C)C	160825500	NHBHLNNGUMEHEJ-UHFFFAOYSA-N	211.309	1.542	70	20	BDID	
CC(C)CCC(=O)NC1(C)CCNCC1	160575542	GWCKQPHBIZAMAZ-UHFFFAOYSA-N	212.337	1.681	70	20	BDID	
C[C@@]1(O)CCCN(c2ncccc2F)C1	160846321	WPTFVNMZWPNKDV-LLVKDONJSA-N	210.252	1.572	70	20	BDID	
c1ccc(CN2CCC3(C2)OCCO3)nc1	160629555	PGDHTDNHMMWUIU-UHFFFAOYSA-N	220.272	1.030	70	20	BDID	
C[C@H](O)C[C@H](C)CNC(=O)[C@@H]1CCCCO1	159828594	VKIBBWAYKGFRJK-DCAQKATOSA-N	229.320	1.079	70	20	BDID	
CS[C@@H]1CCC[C@H](NC(=O)C2(N)CC2)C1	159569376	YBAZGGVUZNOGCJ-DTWKUNHWSA-N	228.361	1.268	70	20	BDID	
C[C@H](O)C[C@H]1CCCN1C[C@@H]1CCCO1	159369190	KJEHMMCXFOGKFI-TUAOUCFPSA-N	213.321	1.401	70	20	BDID	
CS[C@@H](C)CC(=O)N1CCSCC1	159953219	STAZQYROQMEYGR-QMMMGPOBSA-N	219.375	1.703	70	20	BDID	
Cc1occc1C(=O)NC1(CO)CCC1	161122453	JNLZDNPKIQXGAV-UHFFFAOYSA-N	209.245	1.233	70	20	BDID	
Nc1ccc(S(=O)(=O)Cl)cc1Cl	59281354	ADGOOFMDSCEGPO-UHFFFAOYSA-N	226.084	1.850	70	20	BDID	
Cc1ccc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)cn1	161430240	QNGSCHYAFNMKOR-WDEREUQCSA-N	247.298	1.449	70	20	BDID	
CN(C(=S)NC1CC1)[C@@H]1CCSC1	160045187	NKBASELTBYLVQV-MRVPVSSYSA-N	216.375	1.461	70	20	BDID	
CN[C@H]1CCN(C(=O)C2(CCOC)CCC2)C1	160728730	ASLHTDKATDKPMU-NSHDSACASA-N	240.347	1.014	70	20	BDID	
CC(C)n1nccc1C(=O)Nc1ccn(C)n1	159452114	FCZYAFGGCNZFNR-UHFFFAOYSA-N	233.275	1.450	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(C)[nH]c1=O	159664663	BTFVNHJSALGTPW-ZYHUDNBSSA-N	248.326	1.992	70	20	BDID	
COC(=O)[C@@H]1C[C@H]1C(=O)NCC1(C2CC2)CC1	159731039	DKUXKEOUCMLGFS-NXEZZACHSA-N	237.299	1.102	70	20	BDID	
C[C@@H](CCO)NCc1cc(O)cc(F)c1	159612695	DBQMOACHJBNBBO-QMMMGPOBSA-N	213.252	1.392	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)c1cncs1	218168713	KMKBBAOACHIYDI-MRVPVSSYSA-N	228.317	1.280	70	20	BDID	
CCN1CC[C@@H](CNC(=O)[C@@H]2CC2(C)C)C1	160125584	RCQZNSRXHJAVOL-QWRGUYRKSA-N	224.348	1.491	70	20	BDID	
O=C(N[C@@H]1CC=CCC1)N[C@@H]1CCOC1	159538717	VBIPNANGDQKPEA-NXEZZACHSA-N	210.277	1.183	70	20	BDID	
CC(C)N(C)C(=O)CS(=O)(=O)C(C)(C)C	159365717	KMOVDSWEBARVCF-UHFFFAOYSA-N	235.349	1.067	70	20	BDID	
CC[C@H](N[C@H](C)c1cccc(F)c1F)C(N)=O	159518742	HJFRLQRQTWDVGO-XCBNKYQSSA-N	242.269	1.879	70	20	BDID	
C[C@@H]1CN(CCOCC2CC2)CCS1	160581897	SRRZBYMJKHARSX-SNVBAGLBSA-N	215.362	1.850	70	20	BDID	
CC[C@@H](CCO)NC(=O)C1(C)CCCC1	160113012	WRWAAXALXXHADL-JTQLQIEISA-N	213.321	1.844	70	20	BDID	
CC(C)(CO)CCCNC(=O)[C@@H]1CCCS1	160368746	NIMAGORZKXNLOX-JTQLQIEISA-N	245.388	1.797	70	20	BDID	
CC[C@H](C)N[C@H]1CCc2nc(C)nn2C1	160481355	YYKBZJHQJAWCKX-WPRPVWTQSA-N	208.309	1.289	70	20	BDID	
CC[C@H](C)OCC(=O)N(CC)C[C@H]1CCCO1	160720806	DIOGCXSXVIFADY-NWDGAFQWSA-N	243.347	1.829	70	20	BDID	
CC[C@@H]1CCCN1C(=O)N[C@@H]1CCOC1	159446099	SWLDZHQMQWIWFR-NXEZZACHSA-N	212.293	1.359	70	20	BDID	
CN(C(=O)N[C@@H]1CCOC1)C1CCCCC1	159546581	ARBVVVUEPNBFHY-SNVBAGLBSA-N	226.320	1.749	70	20	BDID	
CCNC(=S)N[C@@H]1CCOC(C)(C)C1	159747637	WWSOAJIYLORVGQ-MRVPVSSYSA-N	216.350	1.428	70	20	BDID	
CCC[C@@H](C(=O)OCC)N(C)C[C@H](O)C1CC1	160817073	DEHWDQIPWBGFSQ-RYUDHWBXSA-N	243.347	1.421	70	20	BDID	
Cc1ccnc(N2CCC[C@@](C)(O)C2)n1	160847657	QSKOQZOMFKSKOL-LLVKDONJSA-N	207.277	1.136	70	20	BDID	
CCN(CCN)C(=O)C1[C@@H]2CCCC[C@@H]12	161434785	MPBKGLDUOGYLOF-NXEZZACHSA-N	210.321	1.230	70	20	BDID	
COCCn1ccc2sccc2c1=O	161473990	PMTFGYWQAIVYNL-UHFFFAOYSA-N	209.270	1.709	70	20	BDID	
CCn1cnnc1CNC(=N)Nc1ccccc1	218000436	HREJMTCMSDKYMO-UHFFFAOYSA-N	244.302	1.434	70	20	BDID	
O=C(NCCc1cccs1)C(F)F	217644458	RCPAUNGCKIEJEJ-UHFFFAOYSA-N	205.229	1.672	70	20	BDID	
CNCCNCc1cc(C)ccc1OC	161249270	CCMWFWDNVXRVEW-UHFFFAOYSA-N	208.305	1.313	70	20	BDID	
C[C@@H](CC(=O)NCCCN)c1ccc(F)cc1	160008107	NDOMGIRZEUZRNV-JTQLQIEISA-N	238.306	1.784	70	20	BDID	
Cc1cnc(SCCn2ccnc2)nc1	160098395	YLSBFQSJENHPEW-UHFFFAOYSA-N	220.301	1.774	70	20	BDID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)C(C)(C)C)CC2	160512362	QTMRRXRSLMKQTB-ONGXEEELSA-N	236.363	1.926	70	20	BDID	
C[C@H](CO)NC(=O)c1cc(F)cc2cccnc12	159833170	QCZCZKZQQHKQDI-MRVPVSSYSA-N	248.257	1.485	70	20	BDID	
CCN(C)S(=O)(=O)N1CC[C@H](C)C[C@H](C)C1	159667763	NOZIOWZVPDYVTJ-QWRGUYRKSA-N	248.392	1.551	70	20	BDID	
CCC(C)(CC)C(=O)N(C)CCCC(=O)NC	159369787	MZJMHIOUFGGLHF-UHFFFAOYSA-N	242.363	1.797	70	20	BDID	
C[C@H](O)C(C)(C)NC(=O)NCC(F)(F)F	160576785	SRRNEHWJYPFZDY-YFKPBYRVSA-N	228.214	1.007	70	20	BDID	
O=c1ncccn1Cc1ccccc1Cl	160634667	JOPICOUIIVDZSU-UHFFFAOYSA-N	220.659	1.945	70	20	BDID	
CC(C)(CCO)NC(=O)CC1CCCC1	160784443	AXSVEPMYXPQLDT-UHFFFAOYSA-N	213.321	1.844	70	20	BDID	
Cc1ccoc1CN1CCC[C@@H]1C(N)=O	160356002	LPUYUXDMHYZAJK-SECBINFHSA-N	208.261	1.038	70	20	BDID	
O=S(=O)(Cl)C#Cc1ccccc1	100657346	GJWGIRNEUZVPEG-UHFFFAOYSA-N	200.646	1.564	70	20	BDID	
N[C@H]1CCC[C@H](NC(=O)C2CCCC2)C1	161396074	XPGAAYDDLOIKAG-QWRGUYRKSA-N	210.321	1.563	70	20	BDID	
CC[C@H]1CCCN(C(=O)N[C@H]2CCOC2)CC1	159451227	AJNFUTSOXCGUAX-RYUDHWBXSA-N	240.347	1.997	70	20	BDID	
CC(C)n1cc2cc(NC(=O)[C@@H](C)N)ccc2n1	160068636	KBZPSYZKGOUNRA-SECBINFHSA-N	246.314	1.903	70	20	BDID	
C[C@@H](CO)N(C)C(=O)CC[C@@H]1CC[C@@H](C)O1	160592744	SPPMZCKLFQPSFV-AXFHLTTASA-N	229.320	1.173	70	20	BDID	
CCn1ccnc1CN1CCOC[C@H]1C	160775170	YUKZCDFDDKICGD-SNVBAGLBSA-N	209.293	1.124	70	20	BDID	
CC[C@H](C)CN(CC)C(=O)[C@H](C)OC	160812714	UVTYZKHHFMGRLI-UWVGGRQHSA-N	201.310	1.916	70	20	BDID	
C[C@H](N)C(=O)NC[C@H](C)c1ccc(F)cc1F	159492287	KUZMSDKZPDNUCJ-YUMQZZPRSA-N	242.269	1.532	70	20	BDID	
Cc1csc(NC(=O)N[C@@H]2CCOC2)n1	159394961	BFKVIVZYZNFDNI-SSDOTTSWSA-N	227.289	1.362	70	20	BDID	
COC(CN(CCO)c1ccccc1)OC	161506178	KLWNSDWWGSNHCX-UHFFFAOYSA-N	225.288	1.104	70	20	BDID	
Cc1ccccc1C[C@H](C)NC[C@H](C)N	218299618	DWOWGYPWDJOTOI-RYUDHWBXSA-N	206.333	1.863	70	20	BDID	
Cc1nnc(SCc2ccnn2C)s1	161249088	HMXKPCREQLPMHG-UHFFFAOYSA-N	226.330	1.872	70	20	BDID	
COc1ncccc1CS[C@H](C)CO	160832918	OSLIIXYIKDOTSY-MRVPVSSYSA-N	213.302	1.704	70	20	BDID	
COCCCCC(=O)N(C)Cc1cccn1C	160889553	QHGMWZPVALYWFW-UHFFFAOYSA-N	238.331	1.800	70	20	BDID	
CC1(CNC(=O)N[C@H]2CCOC2)CCCC1	159404186	GHFCYDFHEHWCPB-JTQLQIEISA-N	226.320	1.655	70	20	BDID	
CC(C)CN(C(=O)N[C@H]1CCOC1)C(C)C	159553790	URYOGOVSKVZTNT-NSHDSACASA-N	228.336	1.851	70	20	BDID	
CC[C@H](c1ccncc1)N(C)S(=O)(=O)CC	159766594	ZKAAUNDAPGVUEX-LLVKDONJSA-N	242.344	1.814	70	20	BDID	
CCC[C@@H](O)CN[C@@H]1CCCOCC1	161443745	MSBHVDDOYRMYKD-GHMZBOCLSA-N	201.310	1.306	70	20	BDID	
C[C@H](c1ccncc1)N1CCC[C@@H](N)C1	217498432	CTVYNFPXCDGTMV-ZYHUDNBSSA-N	205.305	1.566	70	20	BDID	
CCc1ccc(CC(=O)Nc2nnc[nH]2)cc1	161018778	VUOVQNLTAUTQTE-UHFFFAOYSA-N	230.271	1.548	70	20	BDID	
CO[C@@H](C)C(=O)NCc1cccc(O)c1	160548819	WJWYLMFUJOOYLB-QMMMGPOBSA-N	209.245	1.043	70	20	BDID	
C[C@@H](C1CC1)N(Cc1nncn1C)C1CC1	160773142	AVZJMDFWECLKQA-VIFPVBQESA-N	220.320	1.578	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)c1ccon1	159591561	JPUGJPBGHAULOQ-RKDXNWHRSA-N	208.261	1.983	70	20	BDID	
CC1(C)C[C@@H](Nc2ccnc(C(N)=O)c2)CCO1	159995455	RQLFJNAOQXDXPT-JTQLQIEISA-N	249.314	1.550	70	20	BDID	
CC(C)(C)CCCNC(=O)C[C@H]1CNCCO1	160538915	WFUBLBOFQGKSSB-NSHDSACASA-N	242.363	1.307	70	20	BDID	
CC(C)CC1(CNC(=O)[C@H](C)N)CCC1	160669741	ZTVPKIOLTQAAAW-JTQLQIEISA-N	212.337	1.666	70	20	BDID	
Cc1nccn1CCS[C@@H](C)[C@@H](C)O	217974705	NMZUTTLHWHYAOE-BDAKNGLRSA-N	214.334	1.694	70	20	BDID	
Cc1ccccc1C[C@@H](C)NC[C@@H](C)N	218299439	DWOWGYPWDJOTOI-VXGBXAGGSA-N	206.333	1.863	70	20	BDID	
C[C@@H](N)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C	161176525	LIQDDMOPYPRDTH-VWYCJHECSA-N	242.363	1.291	70	20	BDID	
CCCCO[C@H](C)C(=O)N[C@H](CCO)C(C)C	160652882	KDPPKRIUJRSVGS-VXGBXAGGSA-N	245.363	1.715	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)CCc1nnc[nH]1	159833503	MGKDCMUNBCYNNW-VHSXEESVSA-N	236.319	1.432	70	20	BDID	
CC(=O)N1CC[C@H](NC(=O)CCC2CCC2)C1	159563516	RZMHJMJCOMKUOB-LBPRGKRZSA-N	238.331	1.304	70	20	BDID	
CCCNC(=S)N1CCN(CC)[C@H](C)C1	159745558	KCGYLOMKROGONG-SNVBAGLBSA-N	229.393	1.297	70	20	BDID	
C[C@H](O)[C@H]1CCN(CCC(F)(F)F)C1	159470246	IMNDHCJTVPAVML-YUMQZZPRSA-N	211.227	1.642	70	20	BDID	
CC1(C)CCCN(S(=O)(=O)Cl)CC1	114449467	NOZQKHJPAOLJSE-UHFFFAOYSA-N	225.741	1.982	70	20	BDID	
C[C@@H](N)C(=O)N1CCc2cc(F)ccc2[C@H]1C	161425846	WCGFVPCEXMXMIS-RKDXNWHRSA-N	236.290	1.619	70	20	BDID	
CC(C)OCCC(=O)NCCSCCCO	161485331	VHZNSILXYLSHKQ-UHFFFAOYSA-N	249.376	1.033	70	20	BDID	
Cn1nccc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	159585143	KWNUKUWTQKSCJT-UPJWGTAASA-N	247.342	1.467	70	20	BDID	
NC(=O)CC1CCN(Cc2ccsc2)CC1	159835506	INUQZFMZKXJGMM-UHFFFAOYSA-N	238.356	1.836	70	20	BDID	
Cc1ccc(C(=O)N[C@H]2CCC[C@H](N)C2)n1C	160904385	CSWAHUXQUXDDMQ-QWRGUYRKSA-N	235.331	1.333	70	20	BDID	
COC(CN1CCOc2cc(F)ccc21)OC	161158072	KLJURYAGMORKIM-UHFFFAOYSA-N	241.262	1.643	70	20	BDID	
Cc1ccccc1C(=O)N(CC(N)=O)CC(C)C	159816649	VONPAKNWUIYRTG-UHFFFAOYSA-N	248.326	1.579	70	20	BDID	
C[C@@H]1SCCN(C(=O)N[C@@H]2CCOC2)[C@@H]1C	159433945	MZPUKDMMXNBBNN-KXUCPTDWSA-N	244.360	1.311	70	20	BDID	
C[C@H](c1cccnc1)N(C)S(=O)(=O)F	1887497649	ZQBPEGANHDSHBM-SSDOTTSWSA-N	218.253	1.289	70	20	BDID	
COC[C@H](N[C@@H](CCO)CSC)C1CC1	160429724	RBQKSJMHJSWXLX-QWRGUYRKSA-N	233.377	1.115	70	20	BDID	
CCOCCN1CCN(c2ccncc2)CC1	161285092	CDIKBGMARBXAIW-UHFFFAOYSA-N	235.331	1.240	70	20	BDID	
C[C@@H](Cc1cccc(F)c1)C(=O)NCCCN	160103330	IVJLCYHESGOWCO-JTQLQIEISA-N	238.306	1.469	70	20	BDID	
CC1(NC(=O)C2CCCC2)CCNCC1	160573658	TVCSEPOYSOSHMJ-UHFFFAOYSA-N	210.321	1.435	70	20	BDID	
Cc1nc(O)ccc1C(=O)N(C)[C@H](C)C1CC1	159808201	ZQOSVCDIHJWYHI-SECBINFHSA-N	234.299	1.966	70	20	BDID	
CC(C)C[C@H](C)NC(=O)N[C@H]1CCOC1	159430860	HRIGASJDMKZSTG-UWVGGRQHSA-N	214.309	1.509	70	20	BDID	
CCCCOCCN(C)C[C@H]1CCC[C@@H]1O	159795232	KISXVMGOXCFJHH-OLZOCXBDSA-N	229.364	1.896	70	20	BDID	
CCC[C@@H](NC(=O)C(F)(F)F)C(=O)OC	216726375	PBAYXVHLLFCUCJ-RXMQYKEDSA-N	227.182	1.007	70	20	BDID	
CNC(=O)c1ccc(C(F)(F)F)cn1	160770528	XMKMNJHTIXZQTE-UHFFFAOYSA-N	204.151	1.460	70	20	BDID	
CCOC(=O)[C@H](NCCC(C)(C)O)[C@@H](C)CC	159618814	NLPIRAAHDFDUOI-WDEREUQCSA-N	245.363	1.715	70	20	BDID	
CC(C)C[C@H](C)NC(=O)NCCC(=O)N(C)C	159644643	NLZKXWXXPOVQRA-JTQLQIEISA-N	243.351	1.199	70	20	BDID	
CCc1noc([C@H](C)N(C)C[C@@H](C)O)n1	159363167	RZWSLYVSTLIZOE-SFYZADRCSA-N	213.281	1.006	70	20	BDID	
CCCC(C)(C)NC(=O)N[C@H]1CCOC1	159555996	RTBCCWNNACFJSR-VIFPVBQESA-N	214.309	1.653	70	20	BDID	
CCC[C@@H](C)CC(=O)N1CC[C@@H](NC)C1	160637975	BNSNMXPUYGIPOV-GHMZBOCLSA-N	212.337	1.633	70	20	BDID	
CCOC(=O)[C@@H](CC)C(=O)O[C@H](C)CC	218479186	BKKVAPLCVHMLDM-RKDXNWHRSA-N	216.277	1.917	70	20	BDID	
COCCC1(C(=O)Nc2cc[nH]n2)CC1	161064045	HNRHOLCBROASIK-UHFFFAOYSA-N	209.249	1.165	70	20	BDID	
CNC[C@@H](C)C(=O)N(C(C)C)C1CCC1	160561550	AFDFNAFOMBIBBO-SNVBAGLBSA-N	212.337	1.631	70	20	BDID	
CC[C@H](COC)N[C@H]1CCCNCC1	160683877	WMGFIDACUKEPNE-MNOVXSKESA-N	200.326	1.143	70	20	BDID	
CCOC(=O)CNC(=O)C(C)(C)C1CCCC1	160299311	MNAHCXXXHBDHFS-UHFFFAOYSA-N	241.331	1.882	70	20	BDID	
C[C@]1(C(=O)N2CCSCC2)CCCCN1	159560203	JGKSBLYKUAOGTM-LLVKDONJSA-N	228.361	1.094	70	20	BDID	
C[C@H](CCCO)NC(=O)C(F)(F)C(F)F	217867669	YWPUDBANOSYWMQ-RXMQYKEDSA-N	231.189	1.164	70	20	BDID	
C[C@H]1CC[C@@H](C)N1C(=O)c1ccnn1C	161469499	QDUZPSHFBUAZTJ-DTORHVGOSA-N	207.277	1.433	70	20	BDID	
Cc1nnnn1Cc1noc(C2CCCCC2)n1	160050004	ZPSWGIHNGLPNQP-UHFFFAOYSA-N	248.290	1.461	70	20	BDID	
CC[C@]1(C)C[C@@H]1C(=O)NCC(=O)N1CCCC1	160569391	UDVUJCIQSNAZDC-ZWNOBZJWSA-N	238.331	1.161	70	20	BDID	
O=C(C=C1CCC1)N[C@H]1c2ccccc2C[C@@H]1O	159827796	GYKJAYWZEMDUJT-ZFWWWQNUSA-N	243.306	1.871	70	20	BDID	
COCCC(=O)N(C)c1ccc(OC)c(F)c1	159828522	REUIMFTZUNPSBX-UHFFFAOYSA-N	241.262	1.834	70	20	BDID	
CCc1noc(C)c1CS[C@H](C)C(N)=O	159972646	PNNABZGLFUEZLM-SSDOTTSWSA-N	228.317	1.652	70	20	BDID	
C[C@@]1(O)CCCN(CC2(O)CCCC2)C1	161000626	FDNBWBSRKLHGSG-LLVKDONJSA-N	213.321	1.138	70	20	BDID	
CCCn1c(C)nnc1Cn1ccnc1CC	161440179	PMCOVBKYZATPLW-UHFFFAOYSA-N	233.319	1.804	70	20	BDID	
CCC[C@H](CC)NC(=O)c1cccc(=O)n1C	161493199	BHEVJYXFOYXAKY-JTQLQIEISA-N	236.315	1.694	70	20	BDID	
CCOCCCN1CCC[C@@H](CCC(N)=O)C1	160332908	OPWCNPPSOUIZRR-LBPRGKRZSA-N	242.363	1.391	70	20	BDID	
COCCC(=O)NC[C@H]1CCCN1CC(C)C	160556237	WBWSIGSBAZGRQS-GFCCVEGCSA-N	242.363	1.260	70	20	BDID	
COC[C@H](NC(=O)NC[C@@H](C)SC)C1CC1	160945382	DQHPPRBETWYRQH-SCZZXKLOSA-N	246.376	1.462	70	20	BDID	
CCc1ncnc(N[C@H](C)CCN(C)C)c1F	217994064	GACDAECSNPLKAY-SECBINFHSA-N	240.326	1.930	70	20	BDID	
CC[C@@H](C)[C@@H](N)C(=O)NCC1(C)CCC1	160830172	ZVXFGZZXKVOEGI-NXEZZACHSA-N	212.337	1.666	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)c1ccc(C)[nH]c1=O	159664799	BTFVNHJSALGTPW-CMPLNLGQSA-N	248.326	1.992	70	20	BDID	
CC1(C(=O)NCCSCCCO)CCC1	161509592	RKTQTHZHRILWTP-UHFFFAOYSA-N	231.361	1.408	70	20	BDID	
COC[C@@H](C)NC(=S)NC[C@@H](C)SC	159576249	PCXVOAXFYGVOGQ-HTQZYQBOSA-N	236.406	1.237	70	20	BDID	
COCCNC(=S)N1CC[C@H](C)[C@@H](C)C1	160870670	CHUBTBFYQWYKQL-UWVGGRQHSA-N	230.377	1.485	70	20	BDID	
COC(C)(C)C[C@@H](C)S(=O)(=O)Cl	88251448	YESGKSGIVQZODS-ZCFIWIBFSA-N	214.714	1.759	70	20	BDID	
N#Cc1cc(CS(=O)(=O)Cl)ccc1F	216919740	ARYQURNCHDZGJO-UHFFFAOYSA-N	233.651	1.766	70	20	BDID	
Cc1cc(CN2CC[C@H](N)C[C@H]2C)no1	217183359	YMGJCLQUIYNMTA-SCZZXKLOSA-N	209.293	1.295	70	20	BDID	
O=C1CN(C/C=C/c2ccc(F)cc2)CCN1	160504472	PIPKPBUOWVNLMR-OWOJBTEDSA-N	234.274	1.271	70	20	BDID	
COCC(C)(C)C(=O)Nc1c[nH]c(=O)c(C)c1	159687203	QHWXMTLETOEARW-UHFFFAOYSA-N	238.287	1.294	70	20	BDID	
CN(C(=O)N[C@H]1CCOC1)C1CCCC1	159554072	RJUBJARKWYJGLI-VIFPVBQESA-N	212.293	1.359	70	20	BDID	
Cc1ccsc1CN1CCO[C@H](CN)C1	159504804	YCHKQPOXCSWRDM-SNVBAGLBSA-N	226.345	1.216	70	20	BDID	
CCC(CC)(CN)C(=O)N(C)CC(F)F	159415954	QZNHTWIJNBZZCX-UHFFFAOYSA-N	222.279	1.475	70	20	BDID	
CCCOc1ccc2c(c1)CCN(C(N)=O)C2	161098604	NQALZWFDVNSMCU-UHFFFAOYSA-N	234.299	1.912	70	20	BDID	
CN(Cc1cccn1C)C(=O)c1cocn1	160397778	SXRUSVVNJOKOMX-UHFFFAOYSA-N	219.244	1.285	70	20	BDID	
CCC[C@H](C)CC(=O)N(CC(N)=O)CC(C)C	159667241	PFCPXNWIUSORMS-NSHDSACASA-N	242.363	1.783	70	20	BDID	
CS[C@H](C)CNC(=S)NC1CC1	159576526	ZRIWQSGXOVWAFM-ZCFIWIBFSA-N	204.364	1.364	70	20	BDID	
C[C@H](N)C(=O)N(C)[C@@H]1CCc2ccccc2C1	160118842	ONYCJMGVRIGEFX-GXFFZTMASA-N	232.327	1.350	70	20	BDID	
CC(=O)c1ccc(N(C)CC[C@H](C)O)nc1	160474032	XOQKGKNWKSTZPT-VIFPVBQESA-N	222.288	1.491	70	20	BDID	
NC[C@H]1CCCN1C(=O)CSC(F)(F)F	160173797	FWUVVXBSGCNFEU-ZCFIWIBFSA-N	242.266	1.189	70	20	BDID	
CCC(CC)c1cc(C(=O)Nc2nnc[nH]2)on1	161019326	SOWJNJLKLPEAGV-UHFFFAOYSA-N	249.274	1.949	70	20	BDID	
CC(C)[C@@H](C)CC(=O)N(C)[C@H](C)CO	160369059	MIHDMQURHTVDFR-VHSXEESVSA-N	201.310	1.508	70	20	BDID	
NC(=O)N1CCc2c(Cl)cccc2C1	160783688	XANXLHDMADGHRI-UHFFFAOYSA-N	210.664	1.777	70	20	BDID	
CN[C@H]1CCN(C(=O)/C=C(/C)c2ccccc2)C1	160790240	SLLJDBQPNZYYGK-HCYCVZQXSA-N	244.338	1.910	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@@H]1C=CCC1	160817013	FCZXPSYZXQTLTE-GHMZBOCLSA-N	239.315	1.801	70	20	BDID	
CN(CCC(F)(F)F)C(=O)N[C@H]1CCOC1	159447181	MXTDIISOGQLIRD-ZETCQYMHSA-N	240.225	1.369	70	20	BDID	
COCCCCN1CC[C@@H]([C@@H](C)O)C1	159450674	PAZVTEQNCIZHCO-GHMZBOCLSA-N	201.310	1.116	70	20	BDID	
CONC(=O)NC[C@H](C)c1nccs1	159653837	UPTWSRORZBSVAD-LURJTMIESA-N	215.278	1.107	70	20	BDID	
Cc1ccc(NC(=O)NCC2CCOCC2)cn1	218717571	WVLFGBRBXPNAPU-UHFFFAOYSA-N	249.314	1.938	70	20	BDID	
Cc1noc(Cn2cnc3c2CCCC3)n1	160720518	VCLCSIVODUYZLI-UHFFFAOYSA-N	218.260	1.502	70	20	BDID	
COCCNC(=O)c1cccn1C(C)C	160454616	JXGPGNMTQGOPJA-UHFFFAOYSA-N	210.277	1.445	70	20	BDID	
CCn1cc(C(=O)N(C)Cc2cccn2C)cn1	160907113	HJVLYAWHRYDBSQ-UHFFFAOYSA-N	246.314	1.514	70	20	BDID	
CCS[C@@H](C(=O)NCC(C)(C)N)C(C)C	160120140	BWWFWYHIQGPWFD-SECBINFHSA-N	232.393	1.618	70	20	BDID	
Cc1ncccc1C(=O)NCC1(N)CCCCC1	159595419	ZXBOTVYWHNGFJG-UHFFFAOYSA-N	247.342	1.781	70	20	BDID	
CC[C@@H]([C@H]1CCOC1)S(=O)(=O)Cl	307447822	QCHSJVMROSYPMA-BQBZGAKWSA-N	212.698	1.370	70	20	BDID	
CCn1cc(C(=O)NC2CC=CC2)cn1	161048219	FCLNPNSNIIGTIJ-UHFFFAOYSA-N	205.261	1.351	70	20	BDID	
CS[C@H](C)CNC(=O)NC[C@@]1(C)CCCO1	160065823	NTPOZNNBTDMYBE-MWLCHTKSSA-N	246.376	1.606	70	20	BDID	
Cc1cc(C)c(C(=O)N(C)[C@H](C)CO)o1	160424091	LFXIWQVNBFQKJN-MRVPVSSYSA-N	211.261	1.349	70	20	BDID	
CN[C@@H]1CCN(C(=O)C2(CCOC)CCC2)C1	160728598	ASLHTDKATDKPMU-LLVKDONJSA-N	240.347	1.014	70	20	BDID	
CC[C@H]1CCCN(C(=O)[C@]2(F)CCNC2)CC1	159568960	MWJVSAOLBFKTNM-AAEUAGOBSA-N	242.338	1.727	70	20	BDID	
Cc1cccc(CCNC(=O)N(C)CCO)c1	217407328	LTHNSKHMITXBRV-UHFFFAOYSA-N	236.315	1.171	70	20	BDID	
CC[C@H](CSC)NCc1ncnn1C	217329773	XDNFLULUMVXVPC-MRVPVSSYSA-N	214.338	1.046	70	20	BDID	
Cc1ccoc1CN1C[C@H]2CNC[C@@H]2C1	161311882	OBPMRRLTESBHGY-GHMZBOCLSA-N	206.289	1.239	70	20	BDID	
COC(=O)CN1CCCc2c(C)ccc(OC)c21	160407367	KUBDBTWIBVXNEK-UHFFFAOYSA-N	249.310	1.929	70	20	BDID	
COc1cccc(CS[C@@H](C)CO)n1	160783956	GGXRASUEJNPFBF-QMMMGPOBSA-N	213.302	1.704	70	20	BDID	
CCCCNC(=O)NOCc1cccnc1	160979890	GAWZVVTXAYVYPZ-UHFFFAOYSA-N	223.276	1.613	70	20	BDID	
OCCN[C@@H]1CCC[C@@H]1c1ccccc1	159692061	HHIBBEJMRGXRDN-CHWSQXEVSA-N	205.301	1.905	70	20	BDID	
CC[C@H](CCO)NC(=O)C1(C)CCCC1	160113126	WRWAAXALXXHADL-SNVBAGLBSA-N	213.321	1.844	70	20	BDID	
C[C@H](CCCO)N[C@H](C)c1cscn1	161222771	BWYOIKVKEKMLKH-RKDXNWHRSA-N	214.334	1.955	70	20	BDID	
CC(=O)c1cccc(OS(=O)(=O)CCl)c1	141062020	ADTYVYUJPPIJMH-UHFFFAOYSA-N	248.687	1.794	70	20	BDID	
Cc1c(C(=O)NCCCN)cnn1C(C)(C)C	160000583	YGDWMYXYHKPTOM-UHFFFAOYSA-N	238.335	1.025	70	20	BDID	
CCn1cnnc1CNC(=O)C[C@@H](C)SC	159410628	DQUOBCIDXZNIEK-MRVPVSSYSA-N	242.348	1.056	70	20	BDID	
CC(C)OC(=O)C(C)(C)S(=O)(=O)Cl	100656273	GKBQBJPNXHSWOC-UHFFFAOYSA-N	228.697	1.285	70	20	BDID	
C[C@@H]1CN(S(=O)(=O)Cl)C(C)(C)C1	307160267	VRYYNUBMINUNOP-LURJTMIESA-N	211.714	1.590	70	20	BDID	
O=[N+]([O-])c1ccc(CS(=O)(=O)Cl)s1	236019145	XSMLNICXGIHEEM-UHFFFAOYSA-N	241.677	1.725	70	20	BDID	
COc1cccnc1N(C)S(=O)(=O)C1CC1	159568294	HMGWSWPSZAADBS-UHFFFAOYSA-N	242.300	1.019	70	20	BDID	
CCSCCN(C)[C@H]1CCCCNC1=O	160296100	VMSUNYWMYCUMMN-JTQLQIEISA-N	230.377	1.340	70	20	BDID	
CC[C@H]1CCCCN1Cc1nncn1C	160670262	WGHJXHPXPUFZFH-JTQLQIEISA-N	208.309	1.580	70	20	BDID	
O=S(=O)(F)Oc1cnc2ccccc2c1	2088600386	QEQUJULVIYKPLJ-UHFFFAOYSA-N	227.216	1.828	70	20	BDID	
CCC[C@H](O)CNCc1ccnn1CC	160641253	JGJJPHOQSLUXLX-NSHDSACASA-N	211.309	1.154	70	20	BDID	
COC(C)(C)C[C@H](C)NC(=O)C[C@@H]1CCCN1	160969277	JRAPWXXVZNAIBW-QWRGUYRKSA-N	242.363	1.448	70	20	BDID	
Cc1cc(N2C(=O)CNC2=O)ccc1F	218417370	GISCUZWPWNMNMV-UHFFFAOYSA-N	208.192	1.190	70	20	BDID	
CC[C@@H](O)CCNCc1ncc(Cl)n1C	218772936	MREPSQJAJLCVMW-MRVPVSSYSA-N	231.727	1.324	70	20	BDID	
CC(C)NS(=O)(=O)N[C@H]1CC[C@H](C)C1	160464291	XBPKBTFRHPEIGW-IUCAKERBSA-N	220.338	1.007	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1CN(C)CCO1	159663428	LXGQKESIQVKZLN-TUAOUCFPSA-N	240.347	1.012	70	20	BDID	
Cc1occc1C(=O)Nc1c[nH]c(=O)c(C)c1	159709754	JSNNTMHGGPHVDU-UHFFFAOYSA-N	232.239	1.837	70	20	BDID	
CCONC(=O)NC[C@@H](C)c1ncc(C)s1	159566197	IZZCFKZSNXGSTC-SSDOTTSWSA-N	243.332	1.806	70	20	BDID	
O=C(NCC1CCCC1)N[C@H]1CCOC1	159387310	OIRZPFGJRBSBOZ-JTQLQIEISA-N	212.293	1.265	70	20	BDID	
CCSCCN1CCNC(=O)[C@@H]1C(C)C	160449990	PIDMZQHFDLCTAB-JTQLQIEISA-N	230.377	1.196	70	20	BDID	
O=C(N[C@@H]1CCC[C@H]1O)c1cc2ccccc2[nH]1	161250961	XITSMWNILKDGHU-DGCLKSJQSA-N	244.294	1.811	70	20	BDID	
C1CC[C@H](CN2CCC3(C2)OCCO3)OC1	160643132	NRFXNSCFMGWBCJ-LLVKDONJSA-N	227.304	1.004	70	20	BDID	
CC(C)CN(C)C(=O)c1ccncc1F	161388569	KRHIDPKUHMTZCY-UHFFFAOYSA-N	210.252	1.949	70	20	BDID	
CC1(C)CN(S(=O)(=O)Cl)CC(C)(C)O1	226417720	ZDJZJLNTEQNREO-UHFFFAOYSA-N	241.740	1.359	70	20	BDID	
CNC[C@H]1CCCN1C(=O)CNc1ccccc1	161255218	PAJDSHUAFHZCBS-CYBMUJFWSA-N	247.342	1.309	70	20	BDID	
CC(C)N(C(=O)CS[C@@H](C)CO)C(C)C	160770557	VRFYXYUQRIJUGK-JTQLQIEISA-N	233.377	1.746	70	20	BDID	
C[C@@H]1CCC[C@@H](N(C)Cc2nncn2C)C1	160776380	CUPNGMCIKXFNBR-GHMZBOCLSA-N	222.336	1.826	70	20	BDID	
CC[C@](C)(O)CN[C@H](C)c1cscn1	161192615	OHPFCUUXPQBFDY-SCZZXKLOSA-N	214.334	1.955	70	20	BDID	
Cc1cc(C(=O)O)cc(S(=O)(=O)F)c1F	238852819	HFVFCJCJILJHPN-UHFFFAOYSA-N	236.195	1.491	70	20	BDID	
N#Cc1cncc(CS(=O)(=O)Cl)c1	261360342	ZDPUALIWVAZTAY-UHFFFAOYSA-N	216.649	1.022	70	20	BDID	
CC[C@H](C)CS(=O)(=O)N[C@@H](CC)COC	160324335	HXMUKFHLVMYFIC-UWVGGRQHSA-N	237.365	1.377	70	20	BDID	
CO[C@H](C)C(=O)N(C)[C@@H](C)C(C)(C)C	160520457	BOZYQCNHQOHECB-BDAKNGLRSA-N	201.310	1.914	70	20	BDID	
CNC(=O)Nc1ccn(CC(F)(F)F)n1	160663238	PNNMRRFLWHYWCQ-UHFFFAOYSA-N	222.170	1.197	70	20	BDID	
CN[C@H]1CCN(C(=O)C[C@H](C)CC(C)C)C1	160715007	VAWBWRGAHPSNTB-NEPJUHHUSA-N	226.364	1.879	70	20	BDID	
Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(C)C)cn1	159765973	RCXRYHGKGQSCFX-JTQLQIEISA-N	249.314	1.489	70	20	BDID	
CCCN(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1354469881	UNUOXKXFQDUYEQ-UHFFFAOYSA-N	248.279	1.155	70	20	BDID	
C[C@H](CO)CNCc1cc(O)cc(F)c1	159605057	CDEFVGFOUDJMNN-QMMMGPOBSA-N	213.252	1.249	70	20	BDID	
Cc1nn(C)c(C)c1CN(C)C[C@H]1CCOC1	161057529	FVEUJQKTGJNXQE-GFCCVEGCSA-N	237.347	1.505	70	20	BDID	
CS[C@@H](C)CNC(=O)NC[C@@]1(C)CCCO1	160065688	NTPOZNNBTDMYBE-GXSJLCMTSA-N	246.376	1.606	70	20	BDID	
C/C(=C/C(=O)N1CCNCC1)c1cccc(F)c1	159451987	KPNWFOYQTRVVRX-LUAWRHEFSA-N	248.301	1.661	70	20	BDID	
CN(Cc1cccn1C)C(=O)c1ccc(O)nc1	160744105	NYFIAFSILUHNIF-UHFFFAOYSA-N	245.282	1.398	70	20	BDID	
CO[C@H]1C[C@@H](S(=O)(=O)Cl)C12CCC2	306417793	YYBUSZVHLQZHAA-NKWVEPMBSA-N	224.709	1.513	70	20	BDID	
CCCC[C@@H](COC)NC(=O)CCNC(C)C	161165304	VZEIPUPORGHQCP-LBPRGKRZSA-N	244.379	1.696	70	20	BDID	
Cn1cccc1C(=O)NCC1(C2CC2)CC1	160071684	PONDAJVWTJWDJQ-UHFFFAOYSA-N	218.300	1.945	70	20	BDID	
Cc1ccncc1C(=O)NCC(F)F	218220107	LTLANDYZPGUIEA-UHFFFAOYSA-N	200.188	1.385	70	20	BDID	
C[C@H](O)CCNC(=O)c1ccnc(Cl)c1F	159552298	OXGUIVQVAZDZSM-LURJTMIESA-N	246.669	1.375	70	20	BDID	
Cc1ccc(C(=O)NC2(CO)CCC2)o1	161090156	GAWSZMQMORINKM-UHFFFAOYSA-N	209.245	1.233	70	20	BDID	
CC(C)N(CCSCCO)C(C)C	161056552	NALCNDUUYYPRQP-UHFFFAOYSA-N	205.367	1.831	70	20	BDID	
CNC[C@H]1CCCN1C(=O)c1cc[nH]c1C	161358000	KDOJYKMMZXELOS-SNVBAGLBSA-N	221.304	1.147	70	20	BDID	
CC1(C)CCCN(C(=O)N[C@H]2CCOC2)CC1	159454544	FDXMQMVLXJNMLY-NSHDSACASA-N	240.347	1.997	70	20	BDID	
O=C(N[C@H]1CCC[C@@H]1O)c1cc2ccccc2[nH]1	161250838	XITSMWNILKDGHU-AAEUAGOBSA-N	244.294	1.811	70	20	BDID	
CCOC(C)(C)CNC(=O)C(F)(F)C(F)F	217853048	OPLGWQPQGYCSDD-UHFFFAOYSA-N	245.216	1.818	70	20	BDID	
Cc1cc(F)ccc1C(=O)N(C)CCN	159857623	NFVUZAYJOYVNCT-UHFFFAOYSA-N	210.252	1.165	70	20	BDID	
CCCN[C@@H](C)C1(OC)CCOCC1	160458114	CHSQBAGNCRHDEA-JTQLQIEISA-N	201.310	1.570	70	20	BDID	
C[C@@H]1NCCC[C@H]1NC(=O)c1cccs1	160538891	OQQORTSRSMBYTO-DTWKUNHWSA-N	224.329	1.618	70	20	BDID	
CS[C@@H](C)C(=O)Nc1cccc(F)n1	160784309	DUYJJCWHMYIBBS-LURJTMIESA-N	214.265	1.911	70	20	BDID	
CCOc1ccc(CNCCNC)cc1	161252471	LICAJFYMVXLKDQ-UHFFFAOYSA-N	208.305	1.394	70	20	BDID	
CNC[C@@H]1CCCN1C(=O)CCCCOC	161284567	PXOFYXGCAGKEHS-NSHDSACASA-N	228.336	1.014	70	20	BDID	
CCCc1csc(CN2C(=O)CCC2=O)n1	160642227	WELAYINHKFHTPU-UHFFFAOYSA-N	238.312	1.745	70	20	BDID	
CC[C@@](C)(CS(=O)(=O)Cl)OC	257879236	RUNDJRBAAWGQSZ-LURJTMIESA-N	200.687	1.370	70	20	BDID	
CC(C)n1nc2c(c1S(=O)(=O)Cl)CCC2	584880770	MZUORHISFNLFPK-UHFFFAOYSA-N	248.735	1.880	70	20	BDID	
C[C@@H](C(=O)N(C)[C@H](C)CO)c1ccsc1	160453123	WZRFDHBMHHMGRK-RKDXNWHRSA-N	227.329	1.691	70	20	BDID	
CCC(CC)CNC(=O)NC[C@@](C)(O)CC	160552103	RCIUBQYWILSDBV-LBPRGKRZSA-N	230.352	1.883	70	20	BDID	
CC[C@@H](C)OCC(=O)NC[C@H](OC)C(C)(C)C	159493320	NZYGXDNGBXTQTP-MNOVXSKESA-N	245.363	1.979	70	20	BDID	
CC[C@@H](C)N[C@@H]1CCc2nc(C)nn2C1	160481011	YYKBZJHQJAWCKX-PSASIEDQSA-N	208.309	1.289	70	20	BDID	
CN(Cc1cccn1C)C(=O)c1cccnc1	160921219	UOCOUGDGEKDDIM-UHFFFAOYSA-N	229.283	1.692	70	20	BDID	
C1COCC[C@@H](NC[C@H]2CSCCS2)C1	161466838	MFBTVSNWRSKHSQ-QWRGUYRKSA-N	247.429	1.994	70	20	BDID	
CCc1cc(CS(=O)(=O)Cl)n(C)n1	91323843	URFFBJJPVBAYAG-UHFFFAOYSA-N	222.697	1.051	70	20	BDID	
CC[C@@H](COC)NC(=O)NCCCSC	160371738	FNSPYPZHPYAHOD-VIFPVBQESA-N	234.365	1.464	70	20	BDID	
CCN(CC1CC1)C(=O)N[C@H]1CCOC1	159569267	AUDMOYFXSHMACM-JTQLQIEISA-N	212.293	1.217	70	20	BDID	
CCN(CCCO)C(=O)c1occc1C	160293172	OKKOSYXURIVFBJ-UHFFFAOYSA-N	211.261	1.433	70	20	BDID	
Cn1ccnc1SCc1ccnn1C	161203620	XWHSVRYRSJPSMA-UHFFFAOYSA-N	208.290	1.446	70	20	BDID	
C[C@H]1CCC[C@H](CO)N1CCC(C)(C)O	161242030	GCNMWOYLQXCPNM-WDEREUQCSA-N	215.337	1.383	70	20	BDID	
Cc1nsc(N[C@H](C)[C@@H]2CCOC2)n1	161419207	MKOWSMYEOKPJQU-HTRCEHHLSA-N	213.306	1.683	70	20	BDID	
C[C@H]1CC[C@H](C)N1C(=O)c1ccnn1C	161469598	QDUZPSHFBUAZTJ-IUCAKERBSA-N	207.277	1.433	70	20	BDID	
COC(C)(C)[C@@H](C)S(=O)(=O)Cl	301029571	UEVDBPSZZKZIOG-RXMQYKEDSA-N	200.687	1.369	70	20	BDID	
CC(C)(N)CNC(=O)c1ccc2[nH]ncc2c1	160037314	QTHNSPUZOPNHBO-UHFFFAOYSA-N	232.287	1.030	70	20	BDID	
C/C=C/C(=O)N[C@H]1CCN(c2ccccn2)C1	218094920	PYLPNKBEVGWYIB-DGXRNCNBSA-N	231.299	1.353	70	20	BDID	
Cc1ccc([C@@H](C)CNC(=O)[C@H](C)N)cc1	161168335	XROWEUWUEBZEJO-QWRGUYRKSA-N	220.316	1.562	70	20	BDID	
CC(C)C1CCN(C(=O)[C@@]2(F)CCNC2)CC1	161271706	HMKRLUIAZNGTJR-CYBMUJFWSA-N	242.338	1.583	70	20	BDID	
CCCC1(CNC(=O)c2ccon2)CC1	160860554	UMFNXHHNUWTEJX-UHFFFAOYSA-N	208.261	1.985	70	20	BDID	
C[C@H]1CCC[C@@H](C(=O)NCC(C)(C)C(N)=O)C1	160884063	JKURXABBGZAPDZ-VHSXEESVSA-N	240.347	1.440	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)COCCOC	159532357	JWSUCVVQCCRCMJ-WDEREUQCSA-N	229.320	1.344	70	20	BDID	
CCS[C@H](C(=O)NCC(C)(C)N)C(C)C	160120009	BWWFWYHIQGPWFD-VIFPVBQESA-N	232.393	1.618	70	20	BDID	
CN(Cc1ccccc1F)Cc1cnnn1C	160724457	GBCYEOQXUXPKNV-UHFFFAOYSA-N	234.278	1.586	70	20	BDID	
CCN(C)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	160893347	UHUKUMSCQJDLCI-AXFHLTTASA-N	238.331	1.605	70	20	BDID	
CC(C)C[C@@H](F)CS(=O)(=O)Cl	257850038	MKBXFIYACVSASA-ZCFIWIBFSA-N	202.678	1.939	70	20	BDID	
CC[C@@H](O)CCN[C@@H](C)c1ccncc1	161237871	DQKKQPUPJDLETI-CMPLNLGQSA-N	208.305	1.893	70	20	BDID	
COc1ccccc1CN(C)C(=O)C(F)F	217594684	MNYYPTDDXAFYNY-UHFFFAOYSA-N	229.226	1.919	70	20	BDID	
CC[C@]1(C)C[C@H]1C(=O)N1CCC[C@@H]1CNC	161264604	ARSFSPIHBGCNMZ-NTZNESFSSA-N	224.348	1.633	70	20	BDID	
CC(C)[C@H](Cc1ccccc1)C(=O)N1CC(O)C1	161454025	XDCOLSZLSWGRQY-AWEZNQCLSA-N	247.338	1.704	70	20	BDID	
CN(CCC1CC1)C(=O)Nc1cccnn1	160122263	XCFYGCBVJJMKOU-UHFFFAOYSA-N	220.276	1.740	70	20	BDID	
COc1cccnc1NC[C@H](O)C1CC1	160233559	PBURMXXHOCBFQV-VIFPVBQESA-N	208.261	1.273	70	20	BDID	
C[C@H](CO)CNC(=O)c1cc2ccccn2c1	160511508	DPPDCUMVMRXKIJ-JTQLQIEISA-N	232.283	1.298	70	20	BDID	
CC[C@@H](N[C@@H]1CCc2nc(C)nn2C1)C1CC1	160542724	IRDMABGGDRSOGE-VXGBXAGGSA-N	234.347	1.680	70	20	BDID	
CCN(CCC(=O)OC)C(=O)C[C@@H](C)SC	160594699	QCRMRTAQZCMCFB-SECBINFHSA-N	247.360	1.540	70	20	BDID	
CN(CC1(O)CCCC1)C(=O)Nc1cccnc1	160816115	RZDRHULYUOCNQS-UHFFFAOYSA-N	249.314	1.850	70	20	BDID	
O=C(N[C@@H]1CCOC1)N1C[C@H]2CCC[C@@H]2C1	159445379	GJHUJYWGCOVHFC-GMTAPVOTSA-N	224.304	1.217	70	20	BDID	
CS[C@@H](C)CNC(=O)NC[C@H]1CCCN1C	159720094	OYKUUOKZUQOIAR-VHSXEESVSA-N	245.392	1.131	70	20	BDID	
C[C@H](NS(=O)(=O)C1CC1)c1cccc(O)c1	160127834	UNEPNKQGYAUEPZ-QMMMGPOBSA-N	241.312	1.535	70	20	BDID	
CCC1(O)CN(C(=O)/C=C\c2ccco2)C1	217476446	WSYRUKLAUNPTMS-WAYWQWQTSA-N	221.256	1.276	70	20	BDID	
COC[C@H](C)NC(=S)N[C@@H](C)CC(C)C	159572107	FAXAZUYAELHDFD-UWVGGRQHSA-N	232.393	1.920	70	20	BDID	
OCC1(NCc2cc(O)cc(F)c2)CC1	159626059	ALWDHZVGVHFJBE-UHFFFAOYSA-N	211.236	1.146	70	20	BDID	
C[C@H](CCC(C)(C)C)NC(=O)[C@H]1CSCN1	161228669	JKUXDANCJMRVTO-NXEZZACHSA-N	244.404	1.980	70	20	BDID	
CC[C@H](O)CCN[C@@H](C)c1cscn1	161226956	XMKVYTNIPOYFRF-IUCAKERBSA-N	214.334	1.955	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)C1=COCCC1	160811732	RNCJVQVEBQQNTF-NSHDSACASA-N	227.304	1.204	70	20	BDID	
COC(=O)CCCSCCN1CCOCC1	159812093	XDYCUKUNXGGBJZ-UHFFFAOYSA-N	247.360	1.005	70	20	BDID	
CC[C@@H](N[C@@H](C)c1cccc(F)c1F)C(N)=O	159518617	HJFRLQRQTWDVGO-OIBJUYFYSA-N	242.269	1.879	70	20	BDID	
CSC[C@H](CCO)N[C@H]1CCN(C)[C@H](C)C1	160167448	MWGGXJHHYDHBAD-WOPDTQHZSA-N	246.420	1.173	70	20	BDID	
CNCCNCc1sccc1Cl	161250757	MWMYCFCXRHYJSQ-UHFFFAOYSA-N	204.726	1.711	70	20	BDID	
COc1ccnc(NC(=O)[C@H]2CCCN2C)c1	161430787	QGQPJZVXUGLRTM-SNVBAGLBSA-N	235.287	1.123	70	20	BDID	
CC[C@@H](NC(=O)c1c[nH]nn1)c1c(C)noc1C	160348638	SIKGFPKSIAQAAR-MRVPVSSYSA-N	249.274	1.291	70	20	BDID	
O=C(C[C@H]1C=CCC1)NOCc1cccnc1	160840304	OSBTYHMAOKVSLO-NSHDSACASA-N	232.283	1.986	70	20	BDID	
CCCCO[C@H](C)C(=O)NC[C@@H](C)CCO	160966193	HLMVBHHJLBZMKO-WDEREUQCSA-N	231.336	1.326	70	20	BDID	
O=C(NC1CC=CC1)[C@@H]1CCc2cn[nH]c2C1	160799823	UJZMGNMEKPSVIV-SECBINFHSA-N	231.299	1.349	70	20	BDID	
COc1ccc(NC(=O)C(F)F)cc1O	217642345	VJQDOYPZYSXPBG-UHFFFAOYSA-N	217.171	1.604	70	20	BDID	
Cc1ccc(NC(=O)CN(C)C)c(O)c1	218193703	IDEFLJRMWSOISM-UHFFFAOYSA-N	208.261	1.201	70	20	BDID	
CCOCC(=O)NCCc1cc2ccccc2[nH]1	160990164	NNPWRPNDXRDTAM-UHFFFAOYSA-N	246.310	1.863	70	20	BDID	
CC[C@@H](C)CS(=O)(=O)NC1(C)CCOCC1	161029142	JLOJGTHVQMNFIW-SNVBAGLBSA-N	249.376	1.521	70	20	BDID	
Cc1cc(N[C@@]2(C)CCOC2)n2ncnc2n1	160006193	DBWOKVDWTWAUMO-NSHDSACASA-N	233.275	1.024	70	20	BDID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NCCc1ccco1	160558291	JHQNPIRBDQIWHE-ZWNOBZJWSA-N	249.310	1.944	70	20	BDID	
Cc1cc(NC(=O)Cc2cccs2)c[nH]c1=O	159688045	GZVTUYOLGSLOLV-UHFFFAOYSA-N	248.307	1.926	70	20	BDID	
CC(=O)N1CC[C@@H](NC(=O)C[C@H]2C=CCC2)C1	159781083	UIDRKZUDQLZKHR-NWDGAFQWSA-N	236.315	1.080	70	20	BDID	
O=C(c1cccc(F)c1)N1C[C@@H]2CCC[C@H](C1)N2	160586722	XCTOUQDZKYAWRB-BETUJISGSA-N	248.301	1.792	70	20	BDID	
Cc1cc(C[C@@H](C)NC(=O)CCC2CC2)n[nH]1	161430706	KWZKKOAXNYBFJM-SECBINFHSA-N	235.331	1.956	70	20	BDID	
CCn1ccnc1CN[C@]1(C)CCOC1	160186751	UESCJSJMZMCXOZ-LLVKDONJSA-N	209.293	1.172	70	20	BDID	
CCC[C@H](C)C(=O)N(CC)CCCO	160304156	VYNPBKVHBQHJOI-JTQLQIEISA-N	201.310	1.654	70	20	BDID	
CCN(CCCO)C(=O)C1CCCCC1	160306310	SFKNDNPMNZLGMH-UHFFFAOYSA-N	213.321	1.798	70	20	BDID	
COc1cc(C)nc(NCCc2cccnc2)n1	161090059	QGROBMGLAHYVEI-UHFFFAOYSA-N	244.298	1.843	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)C1CC=CC1	160503268	JAVGKSAXKAJULN-SECBINFHSA-N	225.288	1.411	70	20	BDID	
C[C@@H]1CCC[C@@H](N(C)C(=O)N[C@@H]2CCOC2)C1	159449346	JVLAPDLSLMIXCP-IJLUTSLNSA-N	240.347	1.995	70	20	BDID	
C[C@H]1CN(CCn2ccnc2)C[C@H](C)S1	159853121	KRXFUGZWCOKQDR-QWRGUYRKSA-N	225.361	1.709	70	20	BDID	
CN(Cc1nncn1C)c1ccccc1	160671973	WRNNFTZXBVLKCS-UHFFFAOYSA-N	202.261	1.452	70	20	BDID	
CCNCc1nc(-c2ccoc2C)no1	160397692	LRDDXCOTVZJLLR-UHFFFAOYSA-N	207.233	1.748	70	20	BDID	
C[C@H]1NCCC[C@H]1NC(=O)c1ccco1	160533485	LACVYFSLRCVWNG-RKDXNWHRSA-N	208.261	1.150	70	20	BDID	
CONC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	159851070	XTOYFTRYFCZECJ-HTQZYQBOSA-N	227.210	1.746	70	20	BDID	
O=S(=O)(Cl)C[C@@H]1C[C@H]2CCCC[C@@H]2O1	306261772	XGXUIARIXZWTIU-VGMNWLOBSA-N	238.736	1.903	70	20	BDID	
C[C@H]([C@H]1C[C@H]2CC[C@H]1O2)S(=O)(=O)Cl	306835443	SLQPZZJVQMPNGV-WCTZXXKLSA-N	224.709	1.511	70	20	BDID	
CCOC(=O)[C@@H](C)SCCN1CCOCC1	160029199	HLNIKDUQWGTOKV-SNVBAGLBSA-N	247.360	1.003	70	20	BDID	
CCc1cc(C)c(C(=O)NC2(CO)CC2)o1	160368769	JQPJABKXCYGTAC-UHFFFAOYSA-N	223.272	1.405	70	20	BDID	
CC[C@H](C)OCC(=O)N[C@@H](CO)CC(C)C	160889962	SNVLFDNSWIDNPN-WDEREUQCSA-N	231.336	1.325	70	20	BDID	
CN(Cc1cscn1)C(=O)N[C@H]1CCOC1	159443263	UXATUVJWAXMSHA-QMMMGPOBSA-N	241.316	1.073	70	20	BDID	
CCCC[C@@H](COC)NC(=O)[C@@H](C)CNC	159651984	NSPPPJYNWJHVML-QWRGUYRKSA-N	230.352	1.163	70	20	BDID	
CC(C)[C@@H](C(=O)NCCO)c1ccccc1	159463437	OARNCIMKXHRWGR-GFCCVEGCSA-N	221.300	1.535	70	20	BDID	
CC1(NC(=O)NCc2nccs2)CCC1	159516411	XYMLGJFKLPBGAD-UHFFFAOYSA-N	225.317	1.885	70	20	BDID	
C[C@H](CNC(=O)[C@@H]1CC1(C)C)CN1CCCC1	159375656	FMDMXVRYNUVKHY-NEPJUHHUSA-N	238.375	1.881	70	20	BDID	
C[C@H]1C[C@H](C)CC[C@@H]1Nc1ccc(C(N)=O)nn1	218054373	HSGNZXHYSUFHAM-UTLUCORTSA-N	248.330	1.812	70	20	BDID	
COCC[C@H](C)N1CCCC2(C1)OCCO2	160537791	JMWSTEKPYDTPHV-NSHDSACASA-N	229.320	1.250	70	20	BDID	
Cn1ccc(C(=O)NCC(C)(C)C)cc1=O	218022834	QYTCOIKLDIUBDG-UHFFFAOYSA-N	222.288	1.161	70	20	BDID	
COCCn1ccc(C(=O)OC(C)C)cc1=O	161036213	BDOVYQCFTNAIKB-UHFFFAOYSA-N	239.271	1.060	70	20	BDID	
CC(C)[C@@H](CO)N[C@@H](C)c1cscn1	161219550	ROOMXBJQQTWGRM-DTWKUNHWSA-N	214.334	1.811	70	20	BDID	
CNC(=O)c1ccnc(OCC(F)(F)F)c1	159824260	ZRKXZPJYKDJLQV-UHFFFAOYSA-N	234.177	1.382	70	20	BDID	
CC(C)(C)Cc1cc(NC(=O)C2(N)CC2)n[nH]1	159435712	WBAIUQORCCSRQA-UHFFFAOYSA-N	236.319	1.428	70	20	BDID	
CC1(C)CCCN(C(=O)N[C@@H]2CCOC2)CC1	159454420	FDXMQMVLXJNMLY-LLVKDONJSA-N	240.347	1.997	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cc[nH]n1	159758028	DUSRXKJYHPYCHS-BDAKNGLRSA-N	207.277	1.718	70	20	BDID	
NC(=O)CC1CCN(C[C@@H]2CC=CCC2)CC1	159732911	LNIRBAQQFAUMFE-CYBMUJFWSA-N	236.359	1.930	70	20	BDID	
C[C@H](NC1CCN(C)CC1)c1cscn1	161145606	KYJSALBUSZJJHZ-VIFPVBQESA-N	225.361	1.888	70	20	BDID	
C[C@@H](OCCS(=O)(=O)Cl)C(F)(F)F	117760277	UHXYRCVDDRFRCM-SCSAIBSYSA-N	240.630	1.522	70	20	BDID	
C[C@@H](O)[C@H]1CCN(CCC(F)(F)F)C1	159470382	IMNDHCJTVPAVML-SFYZADRCSA-N	211.227	1.642	70	20	BDID	
C[C@H]1CC[C@H](C(=O)Nc2ncccc2O)O1	159561340	PFDBEXDNCYYKTK-IONNQARKSA-N	222.244	1.293	70	20	BDID	
Cc1cncc(CS(=O)(=O)Cl)c1	156939712	FASVAFFLGHASMQ-UHFFFAOYSA-N	205.666	1.459	70	20	BDID	
CCn1cc(S(=O)(=O)Cl)c2cncnc21	584882477	LOJOZKIFAIIOEW-UHFFFAOYSA-N	245.691	1.379	70	20	BDID	
C[C@@H](C(=O)NCCCN)c1ccccc1F	160149105	PUEKLVJLSOTWQX-SECBINFHSA-N	224.279	1.394	70	20	BDID	
CN1CCCC[C@@H]1CNC(=O)NC1CCCC1	160472280	XCBHHHPETSWUJR-GFCCVEGCSA-N	239.363	1.713	70	20	BDID	
c1cc(CN[C@H]2[C@@H]3CCO[C@@H]3C23CCC3)n[nH]1	159611518	FMIMDKLHTQEZSN-SRVKXCTJSA-N	233.315	1.457	70	20	BDID	
CC(C)CC[C@@H](C)NC(=O)N[C@@H]1CCOC1	159454838	YMQQIKHOCLCFOP-GHMZBOCLSA-N	228.336	1.899	70	20	BDID	
C[C@H](O)[C@@H]1CCCN(C(=O)NC(C)(C)C)C1	160897949	OBELBGZEUVLWSO-VHSXEESVSA-N	228.336	1.587	70	20	BDID	
COC[C@@H](C)NC(=S)N(C)[C@@H]1CCSC1	160047243	DLBIIAUFSUPBRU-RKDXNWHRSA-N	248.417	1.333	70	20	BDID	
CC[C@H](NCC(N)=O)c1ccc(F)cc1F	160668512	TXWMFLPBRWXKLL-JTQLQIEISA-N	228.242	1.491	70	20	BDID	
Cc1cccc(OCC[C@H]2CCNC2)n1	159510833	SYHOEBMZTIBDBI-LLVKDONJSA-N	206.289	1.768	70	20	BDID	
CCc1ccc(CC(=O)NCC(C)(C)N)cc1	160053378	ASMNLDQXUJVUPC-UHFFFAOYSA-N	234.343	1.645	70	20	BDID	
C[C@H](C(=O)N(C)[C@H](C)CO)c1cccs1	160480361	CDEJYPHLZDLLDK-BDAKNGLRSA-N	227.329	1.691	70	20	BDID	
CCC[C@@H](C)CC(=O)N(C)[C@H](C)CO	160482863	FOYHAPCZNKOUSZ-NXEZZACHSA-N	201.310	1.652	70	20	BDID	
O=C(NC[C@@H]1CC=CCC1)N[C@@H]1CCOC1	159441361	GEMYIVDNMMHXKC-GHMZBOCLSA-N	224.304	1.431	70	20	BDID	
CC(C)CC[C@H](C)NC(=O)N[C@@H]1CCOC1	159454959	YMQQIKHOCLCFOP-WDEREUQCSA-N	228.336	1.899	70	20	BDID	
O=C(/C=C\c1cccs1)N1CC(O)(C2CC2)C1	216961750	SISLHZSANGAUAR-WAYWQWQTSA-N	249.335	1.745	70	20	BDID	
CC[C@H](C)N[C@@H]1CCc2nc(C)nn2C1	160481124	YYKBZJHQJAWCKX-WCBMZHEXSA-N	208.309	1.289	70	20	BDID	
Cc1noc(C)c1C(=O)N(C)Cc1cccn1C	160845028	WYIHQFVUDKGIOU-UHFFFAOYSA-N	247.298	1.902	70	20	BDID	
C[C@H](CO)CNC(=O)c1ccnc(Cl)c1F	159616464	XJZDNDRUDGLAIN-LURJTMIESA-N	246.669	1.232	70	20	BDID	
Cn1cccc1C(=O)NCCCC(C)(C)CO	160393070	FLVAYPOEFKPXBI-UHFFFAOYSA-N	238.331	1.554	70	20	BDID	
Cc1csc(NC(=O)c2cccc(=O)n2C)n1	160244710	FUSYVJYUSHMBME-UHFFFAOYSA-N	249.295	1.403	70	20	BDID	
CC(C)(N)CNC(=O)Cc1cc(F)ccc1F	160012604	AZRBFPSBTSILHP-UHFFFAOYSA-N	242.269	1.361	70	20	BDID	
Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@H]3C)[nH]2)o1	160170274	KDTRSZRUEBYCTJ-SVRRBLITSA-N	246.270	1.968	70	20	BDID	
CCc1nn(C)c(Cl)c1C(=O)N(C)CC	159806303	BFVCYYKRMOLERS-UHFFFAOYSA-N	229.711	1.728	70	20	BDID	
O=C(NCc1cccs1)[C@H]1CCCCO1	159747359	UOMRFJBBLDTBTJ-SNVBAGLBSA-N	225.313	1.933	70	20	BDID	
Cc1cc(NC2(C)CCC2)n2ncnc2n1	159971609	LFRKRBXTKQGECA-UHFFFAOYSA-N	217.276	1.787	70	20	BDID	
O=S(=O)(Cl)CCC[C@@H]1CCCO1	114443223	NGARYXJZPTXLPS-ZETCQYMHSA-N	212.698	1.514	70	20	BDID	
CCOCCN(C)C(=S)NCC(C)C	161485931	SBRHNZUUZMKBKM-UHFFFAOYSA-N	218.366	1.485	70	20	BDID	
CCO[C@@H]1CCCN(C(=O)CO[C@H](C)CC)C1	161144994	UJYKXPXOKWFKCL-VXGBXAGGSA-N	243.347	1.829	70	20	BDID	
CCN(CC)CCNC(=O)N1[C@@H](C)CC[C@H]1C	161484559	MLPICRWSYRCGMM-TXEJJXNPSA-N	241.379	1.911	70	20	BDID	
CC[C@]1(C)C[C@H]1C(=O)N(C)CC(=O)NC1CC1	160114662	LIQFXPDVTHNKRB-GXFFZTMASA-N	238.331	1.160	70	20	BDID	
CC/C=C(/C)C(=O)NC1(C)CCNCC1	160572680	VGVWXTOPBYBPSO-YHYXMXQVSA-N	210.321	1.601	70	20	BDID	
CCC(=O)c1cccc(NC(=O)c2c[nH]nn2)c1	160720778	YGQKJTRYBPDRHW-UHFFFAOYSA-N	244.254	1.650	70	20	BDID	
CCc1nc(CN(C)Cc2cccnc2)n[nH]1	159514572	NGUSEJDOIVFDJP-UHFFFAOYSA-N	231.303	1.394	70	20	BDID	
CS[C@@H](C)CNC(=O)NC1CCN(C)CC1	159571535	RQLYZJPIFIKXFW-VIFPVBQESA-N	245.392	1.131	70	20	BDID	
C[C@]1(NC(=O)c2ccc(F)nc2)CCOC1	160210551	YCBRVLDXPHHSPX-NSHDSACASA-N	224.235	1.130	70	20	BDID	
C[C@H](CO)SCC(=O)Nc1nccs1	160756120	QNURHHWERFXDRK-ZCFIWIBFSA-N	232.330	1.196	70	20	BDID	
NC(=O)[C@H]1CCCN1Cc1c(F)cccc1F	160370039	SKIQDRDWCGODBR-LLVKDONJSA-N	240.253	1.415	70	20	BDID	
C[C@H](Nc1nccn(C)c1=O)C1CCC1	160066987	FRLRYVWYQUMZQR-QMMMGPOBSA-N	207.277	1.381	70	20	BDID	
N[C@H]1CCC[C@H](NC(=O)C2CCCCC2)C1	160987102	LSEXTZHOVWATLS-RYUDHWBXSA-N	224.348	1.953	70	20	BDID	
C[C@@H](CCCO)NC(=O)C(F)(F)C(F)F	217867589	YWPUDBANOSYWMQ-YFKPBYRVSA-N	231.189	1.164	70	20	BDID	
O=C(N[C@H]1CCC[C@H]1CO)[C@@H]1CCCS1	217939938	DNOSDSOPGBGDAW-GUBZILKMSA-N	229.345	1.159	70	20	BDID	
CNC[C@@H]1CCCN1C(=O)CNc1ccccc1	161255099	PAJDSHUAFHZCBS-ZDUSSCGKSA-N	247.342	1.309	70	20	BDID	
CCN(C)C(=O)c1cc(OC)c(O)c(OC)c1	161443595	VPQKLKGJRSOKDS-UHFFFAOYSA-N	239.271	1.501	70	20	BDID	
C[C@H](Nc1nccn2cnnc12)C1CCC1	160064783	MMTUBNIBEARDSF-QMMMGPOBSA-N	217.276	1.725	70	20	BDID	
CC[C@H](N)C(=O)Nc1ccccc1N(C)C(C)=O	160146147	HINZQMMYXWHYNI-JTQLQIEISA-N	249.314	1.345	70	20	BDID	
CCCC[C@H](COC)NC(=O)C[C@@H]1CCCN1	159654612	UCIIXCSZYPVRLG-NWDGAFQWSA-N	242.363	1.450	70	20	BDID	
C/C=C/C=C/C(=O)Nc1c[nH]c(=O)c(C)c1	159690232	SZCUVXWWWXICMP-VNKDHWASSA-N	218.256	1.754	70	20	BDID	
C[C@@H]1CC[C@H](CC(=O)NCC(C)(C)N)C1	160055323	BGBGNUADFQMMGZ-ZJUUUORDSA-N	212.337	1.666	70	20	BDID	
CNC(=O)[C@H](C)NC(=O)C(C)(C)C1CCCC1	160620255	LEAFLTNBTSSADP-VIFPVBQESA-N	240.347	1.454	70	20	BDID	
C[C@H](N)C(=O)N[C@H](C)[C@@H](C)c1ccccc1	160889285	VMCVLWFZNCLSNO-OUAUKWLOSA-N	220.316	1.642	70	20	BDID	
Cc1cc(NC(=O)[C@H]2C[C@H]2C2CC2)c[nH]c1=O	159677728	ZMLSIOFBAYZSHU-QWRGUYRKSA-N	232.283	1.668	70	20	BDID	
COC(=O)c1cncc(N2C[C@H]3CCC[C@@H]3C2)n1	159905960	JIIPWNSRQPPPEO-NXEZZACHSA-N	247.298	1.500	70	20	BDID	
NC(=O)c1ccc(NC(=O)[C@@H]2CCCCO2)cc1	159375107	FNMLETCUCMJKLT-NSHDSACASA-N	248.282	1.293	70	20	BDID	
COC(CN1CCO[C@H](c2ccco2)C1)OC	161499980	YPUCSOIFFBMHBW-NSHDSACASA-N	241.287	1.272	70	20	BDID	
COC(CN1CCO[C@@H](c2ccco2)C1)OC	161500108	YPUCSOIFFBMHBW-LLVKDONJSA-N	241.287	1.272	70	20	BDID	
C[C@H](CS(=O)(=O)Cl)[C@@H]1CCCCO1	216250015	JGVLYAKAFMZVII-SFYZADRCSA-N	226.725	1.760	70	20	BDID	
NCC(=O)N[C@@H]1CCC[C@H]1c1ccccc1	159715199	LRDUUWQVZADGHI-NWDGAFQWSA-N	218.300	1.398	70	20	BDID	
C[C@H]1CCC[C@H](C(=O)NC[C@@H]2CCN(C)C2)C1	161309320	QVYPOHXYNLHBPN-AVGNSLFASA-N	238.375	1.881	70	20	BDID	
COc1cccnc1NC[C@@H](O)C1CC1	160233683	PBURMXXHOCBFQV-SECBINFHSA-N	208.261	1.273	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)CCc1nnc[nH]1	159833053	MGKDCMUNBCYNNW-ZJUUUORDSA-N	236.319	1.432	70	20	BDID	
CC(C)C[C@H]1CCN(C(=O)[C@H]2CSCN2)C1	159610129	KILCMSUZEPJBHF-GHMZBOCLSA-N	242.388	1.544	70	20	BDID	
O=C(/C=C\c1cccs1)N1C[C@@H]2CNC[C@@H]2C1	218321878	JWAITLKOSQFMQP-XCPMARJRSA-N	248.351	1.439	70	20	BDID	
CC(C)[C@@H](Cc1ccccc1)NCCN	218278139	WGWKINNTZBDCIL-CYBMUJFWSA-N	206.333	1.802	70	20	BDID	
COC[C@H](NCCC(C)(C)O)c1ccco1	159668637	HKSBAMUNIKZWCH-JTQLQIEISA-N	227.304	1.718	70	20	BDID	
Cc1cnc(NC(=O)[C@@H]2CCCCO2)[nH]1	160791400	GARHPZDAEVXULH-QMMMGPOBSA-N	209.249	1.226	70	20	BDID	
CC(C)c1ccc(C(=O)NCCCN(C)C)cn1	160972083	IRBMZCFXNQAGHE-UHFFFAOYSA-N	249.358	1.887	70	20	BDID	
CCSCCN1CCC(NC(C)=O)CC1	159869648	WAPSBEUIXYEERN-UHFFFAOYSA-N	230.377	1.340	70	20	BDID	
CN(C)CCNC(=O)NCC1CCCC1	217573896	IUCIDAUGDCMYKE-UHFFFAOYSA-N	213.325	1.037	70	20	BDID	
NCC[C@H]1CCN(C(=O)c2ccoc2)C1	159995871	YLGLHCIOTPQCMS-VIFPVBQESA-N	208.261	1.091	70	20	BDID	
CC(C)C(=O)NCCCN[C@H](C)c1cccnc1	159981912	XJNQUNMYVOXGBY-GFCCVEGCSA-N	249.358	1.895	70	20	BDID	
CCCCCC(=O)N(CCO)CCOC	160338984	PVIHRWHTFRBBJN-UHFFFAOYSA-N	217.309	1.034	70	20	BDID	
CCCC[C@@H](C(=O)OC)N(CC)CCCO	160731133	NMVJCRNTJHSCTP-NSHDSACASA-N	231.336	1.423	70	20	BDID	
CNCCNCc1ccc(C)c(Cl)c1	161257943	NKJIXNJAJNTQQV-UHFFFAOYSA-N	212.724	1.957	70	20	BDID	
C[C@H]([C@@H]1C[C@H]2CC[C@H]1O2)S(=O)(=O)Cl	306835442	SLQPZZJVQMPNGV-OOJXKGFFSA-N	224.709	1.511	70	20	BDID	
C[C@@H]1COC[C@@H](C)N1Cc1cnc2ccccn12	160572251	HTGNXJXTXKXGEW-VXGBXAGGSA-N	245.326	1.944	70	20	BDID	
COC[C@H](NC(=O)NC[C@H](C)SC)C1CC1	160945243	DQHPPRBETWYRQH-WPRPVWTQSA-N	246.376	1.462	70	20	BDID	
COC[C@@H](NC(=O)NC[C@@H](C)SC)C1CC1	160945605	DQHPPRBETWYRQH-PSASIEDQSA-N	246.376	1.462	70	20	BDID	
O=C(NCCOc1ccccc1)[C@H]1CCCCO1	159902714	AQVDEZGZCAZNSQ-CYBMUJFWSA-N	249.310	1.751	70	20	BDID	
NC[C@@H]1CCCN1C(=O)c1ccc(Cl)nc1	160368115	UYEWPEFVQHGMCP-VIFPVBQESA-N	239.706	1.298	70	20	BDID	
C[C@H]1NCCC[C@H]1NC(=O)c1cscn1	160537634	VJBPNENHPSOACP-HTQZYQBOSA-N	225.317	1.013	70	20	BDID	
Cc1cc(C(=O)CS[C@H](C)CO)c(C)[nH]1	160749365	GBEWMGHNKRLIQW-MRVPVSSYSA-N	227.329	1.928	70	20	BDID	
CCCN(CC(=O)OC)C[C@@H]1CCC(C)(C)O1	160824891	UTWQRQJCHYZZQD-NSHDSACASA-N	243.347	1.829	70	20	BDID	
CC[C@@H](CCO)N[C@@H]1CCCOCC1	161455871	OGGCNUBEOGRMSU-WDEREUQCSA-N	201.310	1.306	70	20	BDID	
Cc1cc(C(=O)NC[C@H]2CC=CCC2)ncn1	160707237	JDSYNBMLYMCMCZ-NSHDSACASA-N	231.299	1.871	70	20	BDID	
N[C@H]1CCC[C@H](NC(=O)COc2ccccc2)C1	160967682	GYIYNMIXDXBMPL-RYUDHWBXSA-N	248.326	1.452	70	20	BDID	
COCCN(C)Cc1cc(O)cc(F)c1	159832882	OQUNICPOJDOTIS-UHFFFAOYSA-N	213.252	1.610	70	20	BDID	
CCC(CC)NC(=O)NCCCN(C)C	217304963	JZPJTJGVUBSVBK-UHFFFAOYSA-N	215.341	1.426	70	20	BDID	
CC1CC(N[C@@H]2C[C@@H](C)N(C3CC3)C2)C1	160856936	LPYNNIKNPRRQKL-RUJICJSRSA-N	208.349	2.000	70	20	BDID	
CN(Cc1cccs1)C(=O)C(F)F	217596745	SITXIRUXVHQSIY-UHFFFAOYSA-N	205.229	1.972	70	20	BDID	
CCCCCOCC(=O)N[C@H](CO)CC(C)C	161278253	RIEXIPOLPFOYBA-LBPRGKRZSA-N	245.363	1.716	70	20	BDID	
Cc1cccc([C@H](C)C(=O)NCC(C)(C)N)c1	159943734	AICZGRMQVJANTD-NSHDSACASA-N	234.343	1.952	70	20	BDID	
CC[C@H](C)OCC(=O)N(C)Cc1nccs1	159781208	VZMDPNYGEPGAQM-VIFPVBQESA-N	242.344	1.917	70	20	BDID	
CC[C@H](O)CCN[C@@H](C)c1ccccn1	159388749	FGLIZKXGEUMIHA-QWRGUYRKSA-N	208.305	1.893	70	20	BDID	
CCC(CC)(CN)C(=O)N[C@H](C)CSC	159486238	SCPFCEFJBPIVBL-SECBINFHSA-N	232.393	1.619	70	20	BDID	
CCN(C)C(=O)N[C@H]1CCOC(C)(C)C1	159943700	FWCXQVYPDUIAFQ-VIFPVBQESA-N	214.309	1.605	70	20	BDID	
COC(=O)[C@H](C)N1CCC(NC(C)C)CC1	160497356	RBUKATLZIVWPJT-JTQLQIEISA-N	228.336	1.010	70	20	BDID	
O=S(=O)(OC1CCC1)C(F)(F)F	97957593	IGXXICVEFOJCDX-UHFFFAOYSA-N	204.169	1.405	70	20	BDID	
COc1ccc(CNC(=O)C(F)F)cc1	217626750	BWOMSHFAAQLKJI-UHFFFAOYSA-N	215.199	1.577	70	20	BDID	
CC[C@H](N)C(=O)N[C@@H](C)Cc1c(C)noc1C	161364952	OZPWQMOESSGUCO-CPCISQLKSA-N	239.319	1.076	70	20	BDID	
CO[C@]1(CNc2ccc3c(n2)CCC3)CCOC1	160632678	NZLNTDQOUXTHPJ-AWEZNQCLSA-N	248.326	1.788	70	20	BDID	
CNCC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C	159885884	KIQWFFWHLMZHRP-STQMWFEESA-N	246.354	1.919	70	20	BDID	
COc1ccc([C@@H](C)N(C)S(=O)(=O)F)cc1	1887497345	SUBRJGRYOKWUFH-MRVPVSSYSA-N	247.291	1.902	70	20	BDID	
Cc1nc(CN(C)C[C@H]2CCC[C@@H]2O)oc1C	159864468	TZIPOAGBOJRGOL-NEPJUHHUSA-N	238.331	1.884	70	20	BDID	
CCC[C@@H](O)CNc1cc(NC)ncn1	218557270	BGEOMEJUCKWCTO-MRVPVSSYSA-N	210.281	1.091	70	20	BDID	
Cc1cc(S(=O)(=O)F)cc(C)c1O	238501627	ZIPUMRGZZGNMMK-UHFFFAOYSA-N	204.222	1.667	70	20	BDID	
CCNCCNCc1cccc(OC)c1	161290321	XFQFXIYYMDZXCR-UHFFFAOYSA-N	208.305	1.394	70	20	BDID	
CCc1ncc(NC(=O)N(C)C(C)C)cn1	161192322	IPUICGWLCMKCDK-UHFFFAOYSA-N	222.292	1.911	70	20	BDID	
CC(C)OCCN1CC[C@H]([C@@H](C)O)C1	159471570	KSCLJCPXCPPRLV-MNOVXSKESA-N	201.310	1.114	70	20	BDID	
O=C(N[C@@H]1CC=CCC1)N[C@H]1CCOC1	159538941	VBIPNANGDQKPEA-ZJUUUORDSA-N	210.277	1.183	70	20	BDID	
CC[C@H](CSC)NCc1ncnn1CC	217329735	JZEFMJILUOOQKQ-SECBINFHSA-N	228.365	1.529	70	20	BDID	
CCC[C@@H](C)C(=O)NC[C@@](C)(O)CSC	217656255	BPAAQPPIZNLHHL-MWLCHTKSSA-N	233.377	1.653	70	20	BDID	
COCCCNC(=O)N(C)CCC1CC1	160905739	FOHXMYLTXHJXIC-UHFFFAOYSA-N	214.309	1.464	70	20	BDID	
CC1(C)CCC[C@H]1NC(=O)N[C@@H]1CCOC1	159419698	KHNJQCIMCGEMFJ-NXEZZACHSA-N	226.320	1.653	70	20	BDID	
Cc1csc(NC(=O)[C@H]2CCCCO2)n1	159474426	ZCDCOROVJDSLRA-MRVPVSSYSA-N	226.301	1.959	70	20	BDID	
CC1(NC(=O)N[C@@H]2CCOC2)CCCC1	159538440	QPIHAZOHIFMYDF-SECBINFHSA-N	212.293	1.407	70	20	BDID	
CCC(CC)CC(=O)N1CCC[C@H]1CN	160222192	WQNQTBKBKCOTCH-NSHDSACASA-N	212.337	1.762	70	20	BDID	
O=C(c1ccncc1F)N1C[C@@H]2CCC[C@H](C1)N2	160172905	YVSSLTLCBFQPER-AOOOYVTPSA-N	249.289	1.187	70	20	BDID	
COCCCOCCCCS(=O)(=O)Cl	114257244	YEWWYWVPQLYQPY-UHFFFAOYSA-N	244.740	1.388	70	20	BDID	
NC[C@@H]1CCC[C@H]1NCc1ccc(Cl)nc1	216715172	GUHNBXGHKHHQCL-WDEREUQCSA-N	239.750	1.952	70	20	BDID	
COc1cccc(CNCCCO)c1F	160462507	HTOIHWJPKTWCMD-UHFFFAOYSA-N	213.252	1.306	70	20	BDID	
CC[C@H](NCC(C)(C)O)c1cnn(C)c1	160589217	QIQGZXUHXBZFMV-JTQLQIEISA-N	211.309	1.232	70	20	BDID	
C[C@@H](CO)SCc1noc(C2CC2)n1	160771440	CMZGGZDYAOMFRB-LURJTMIESA-N	214.290	1.561	70	20	BDID	
Cc1nnc(NC(=O)c2ccncc2F)s1	161385493	SMBOCFBKBRHBDJ-UHFFFAOYSA-N	238.247	1.633	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](C)CSC	160107963	FEISAMNLCHLSIA-BDAKNGLRSA-N	247.360	1.443	70	20	BDID	
CO[C@@H](C)C(=O)N(C)[C@H](C)C(C)(C)C	160520599	BOZYQCNHQOHECB-DTWKUNHWSA-N	201.310	1.914	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccco1	160812900	IUGZOSZRFMEGMJ-MRVPVSSYSA-N	225.244	1.351	70	20	BDID	
C[C@H](N[C@H]1CCOC1=O)c1cccc(F)c1F	159517602	JDORKSACFUMKQU-XVKPBYJWSA-N	241.237	1.931	70	20	BDID	
CCC[C@H](C)N(C)C(=O)N[C@@H]1CCOC1	159554338	JDZOXJBZMNBZSY-VHSXEESVSA-N	214.309	1.605	70	20	BDID	
CCN1CC[C@H](CNC(=O)[C@@H]2CC2(C)C)C1	160125432	RCQZNSRXHJAVOL-MNOVXSKESA-N	224.348	1.491	70	20	BDID	
CC[C@@H](C)OCC(=O)Nc1nnc(C)s1	160161921	SLSKJXCPZBMXDB-ZCFIWIBFSA-N	229.305	1.600	70	20	BDID	
CCCC1(CNC(=O)[C@@H]2CN(C)CCO2)CC1	160553047	QNVAQILUBUWWEU-NSHDSACASA-N	240.347	1.014	70	20	BDID	
O=C(NCCCC(F)(F)F)N[C@H]1CCOC1	159418339	GBOUMSBRAHLOGJ-ZETCQYMHSA-N	240.225	1.417	70	20	BDID	
C[C@H]1C(=O)N(Cc2nccs2)C(=O)[C@@H]1C	161385791	YWSPIUZPVMCOAO-RNFRBKRXSA-N	224.285	1.284	70	20	BDID	
O=C(NCc1ccc(F)cc1)C(F)F	217647903	ABIICJYIBYYTMI-UHFFFAOYSA-N	203.163	1.707	70	20	BDID	
Cc1ccccc1CCNC(=O)N(C)CCO	217315683	FMRUNZYXUXIWBB-UHFFFAOYSA-N	236.315	1.171	70	20	BDID	
CN(Cc1ccccc1F)Cc1nncn1C	160688105	HPDVMAYOSLVODE-UHFFFAOYSA-N	234.278	1.586	70	20	BDID	
CN(CC(F)F)C(=O)c1ncccc1O	160718085	COTOMFDBGLYLDI-UHFFFAOYSA-N	216.187	1.124	70	20	BDID	
CCc1ncc(NC(=O)N(C)CC2CC2)cn1	161174796	VSJBXSYCWBGOBF-UHFFFAOYSA-N	234.303	1.913	70	20	BDID	
CC[C@@]1(C)C[C@H]1C(=O)N(CCOC)CCOC	160834752	FOZANHFWZNXKES-AAEUAGOBSA-N	243.347	1.544	70	20	BDID	
CCC[C@H](N)C(=O)NC[C@H]1CCc2ccccc21	159732348	OHTASXJYVDQDRZ-OCCSQVGLSA-N	246.354	1.960	70	20	BDID	
CC(C)(C)[C@@H]1CCN(S(=O)(=O)Cl)C1	166028137	DWTSENVJWWRBCF-SSDOTTSWSA-N	225.741	1.838	70	20	BDID	
CCCN(CC)CCNC1CCNCC1	217719825	NREVJQRODKFUIQ-UHFFFAOYSA-N	213.369	1.060	70	20	BDID	
CC[C@@H](CCO)NCc1ccncc1Cl	217840898	VSXUPYXGSUZYIB-JTQLQIEISA-N	228.723	1.986	70	20	BDID	
COCc1ccc(S(=O)(=O)Cl)o1	521399025	UIUOLXWNKRRTAL-UHFFFAOYSA-N	210.638	1.354	70	20	BDID	
CC[C@H]1CN(C(=O)[C@H]2CCCCO2)CCO1	161351881	FBLKQTIGPKNSPJ-WDEREUQCSA-N	227.304	1.193	70	20	BDID	
CC[C@@]1(C)C[C@H]1C(=O)Nc1nncs1	160300513	IXYPGQYWLBLZMU-RCOVLWMOSA-N	211.290	1.913	70	20	BDID	
NC(=O)NCC1(c2cccc(F)c2)CC1	160796312	QRPCACQPBAOVTN-UHFFFAOYSA-N	208.236	1.526	70	20	BDID	
CCNC(=O)CN(CC)C(=O)[C@@H]1C[C@]1(C)CC	160914190	XTHFKSMGJKEHEA-GWCFXTLKSA-N	240.347	1.407	70	20	BDID	
CC[C@H](C)C(=O)NCC1(C)CCNCC1	159975584	LHWONAQGQSHTLG-JTQLQIEISA-N	212.337	1.538	70	20	BDID	
CC(C)CN(C(=O)N[C@@H]1CCOC1)C1CC1	159542081	YDHPLSCIXMMOEB-SNVBAGLBSA-N	226.320	1.605	70	20	BDID	
CS[C@H](C)CC(=O)NCCn1cccn1	161039902	CPHWLRJKKDCNDR-SECBINFHSA-N	227.333	1.141	70	20	BDID	
NC(=O)NCc1nnc(-c2ccccc2)s1	160208479	SFLGHCKJXASXKG-UHFFFAOYSA-N	234.284	1.373	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)CCCCOC	160579010	RQJYXEVEKWEESM-JTQLQIEISA-N	245.319	1.261	70	20	BDID	
CC[C@@H](C)OCC(=O)N1CCC[C@@H]1COC	160884078	YLFGSLOLQWFSTF-GHMZBOCLSA-N	229.320	1.439	70	20	BDID	
CC[C@@H](C)OCC(=O)Nc1c[nH]c(=O)c(C)c1	159845255	BDERFJVTHVFQMY-SECBINFHSA-N	238.287	1.437	70	20	BDID	
CCc1nc(CN2[C@H](C)CCC[C@@H]2CO)n[nH]1	159399053	KEQRIAQONOCEJD-NXEZZACHSA-N	238.335	1.102	70	20	BDID	
C[C@@H]([C@@H]1C[C@H]2CC[C@H]1O2)S(=O)(=O)Cl	306835440	SLQPZZJVQMPNGV-FKSUSPILSA-N	224.709	1.511	70	20	BDID	
Cc1cc(C)nc(N[C@@H](C)[C@@H]2CCOC2)n1	160430349	OMMYGQDBRFDCHP-WDEREUQCSA-N	221.304	1.930	70	20	BDID	
CCOCCCN1CCC[C@@H](CNC(C)=O)C1	159731710	INXWCWMAFUUIMR-ZDUSSCGKSA-N	242.363	1.261	70	20	BDID	
CSCC[C@H](C)N(C)C(=O)N[C@H]1CCOC1	159564051	VNRFKNLIJAVETE-UWVGGRQHSA-N	246.376	1.558	70	20	BDID	
C[C@@H]1CN(C)CC[C@@H]1NC[C@@H]1CCCC[C@@H]1O	160535070	RFFNKVPHQKLESH-RFGFWPKPSA-N	240.391	1.467	70	20	BDID	
CN(CCc1ccccn1)C(=O)[C@H]1CCCCO1	161152382	AZPGLFJNBSYOEZ-CYBMUJFWSA-N	248.326	1.652	70	20	BDID	
CC[C@H]1CCCN1C(=O)N[C@H]1CCOC1	159446471	SWLDZHQMQWIWFR-UWVGGRQHSA-N	212.293	1.359	70	20	BDID	
C[C@@H]1CCCC[C@@H]1N(C)C(=O)N[C@@H]1CCOC1	159458690	UHSGSKQBMCRIGF-UTUOFQBUSA-N	240.347	1.995	70	20	BDID	
CCOCCCN1CCC[C@H](n2cccn2)C1	160254412	RQGMTVFGAXEDRY-ZDUSSCGKSA-N	237.347	1.947	70	20	BDID	
CN(C)CCCN(C)C(=O)N1CCCCCC1	160584123	SWJLIYYXABUJJG-UHFFFAOYSA-N	241.379	1.866	70	20	BDID	
FC(F)(F)SCCNCc1cnc[nH]1	218121889	KAMUVUFADADKLS-UHFFFAOYSA-N	225.239	1.752	70	20	BDID	
CC[C@H]1c2ccccc2CCN1C(=O)[C@H](C)N	160132258	YTSUWCIYLRYYMT-GWCFXTLKSA-N	232.327	1.870	70	20	BDID	
O=C(Cc1ccc(O)cc1Cl)N1CCC1	160448481	OABOYGUHKDFTJG-UHFFFAOYSA-N	225.675	1.820	70	20	BDID	
CSC[C@H](C)N[C@@H]1CCN2CCC[C@@H]2C1	159982974	QIMFCPBUIWBUOP-QJPTWQEYSA-N	228.405	1.954	70	20	BDID	
CC(C)OCCN1CC[C@H](CCN)C1	160047028	YYKSTEFWJCDFQK-NSHDSACASA-N	200.326	1.082	70	20	BDID	
C[C@]1(O)CCCN(C(=O)[C@H]2CCSC2)C1	161027783	CZCPJFKTFOALHQ-ONGXEEELSA-N	229.345	1.113	70	20	BDID	
CC[C@@H](NC(=O)[C@H](C)OC)c1c(C)noc1C	160698718	GDADHFDVMHYZNK-VHSXEESVSA-N	240.303	1.894	70	20	BDID	
COc1ccc(CCNC(=O)C(F)F)cc1	217623339	ZNBDWOVALFAFND-UHFFFAOYSA-N	229.226	1.619	70	20	BDID	
COc1ccc(C(=O)N(C)OC)c(F)c1	218447269	PJFOYBSAGAYVNS-UHFFFAOYSA-N	213.208	1.468	70	20	BDID	
CCC[C@@](C)(O)CNC(=O)NC1CCC1	217939710	WJPVCWWCQSFEHM-LLVKDONJSA-N	214.309	1.389	70	20	BDID	
CC(C)[C@H]1COC(=O)N1c1ccnc(F)n1	218471240	KESKTKDGWWKBBO-SSDOTTSWSA-N	225.223	1.597	70	20	BDID	
CC[C@H](N[C@H](C)C(N)=O)c1ccc(F)cc1F	160694352	LPCKFCOTDULFHM-HQJQHLMTSA-N	242.269	1.879	70	20	BDID	
CCN(C)CCNC(=O)CCCn1cccc1	159523096	NQLZKGVHQHJGSL-UHFFFAOYSA-N	237.347	1.336	70	20	BDID	
O=C1CCCN1CCN1CC[C@@H]2CCCC[C@@H]21	159735563	LWWQWNUEOVEPOL-STQMWFEESA-N	236.359	1.873	70	20	BDID	
CCC(CC)C(=O)N1CC[C@@H](CCN)C1	160002485	GYGNSRDNMSNGGC-SNVBAGLBSA-N	212.337	1.620	70	20	BDID	
C[C@H](N[C@H](C)CC(N)=O)c1ccsc1	160671456	ALXWBZDETFPLDW-SFYZADRCSA-N	212.318	1.663	70	20	BDID	
CC(C)n1cccc1C(=O)NC[C@@H]1CCCO1	160639377	WIARXGCGJRBWKR-NSHDSACASA-N	236.315	1.978	70	20	BDID	
CC(C)C1(CNC(=O)[C@@H]2CCNC2)CC1	160821522	BQDJXCYGWSMUAZ-SNVBAGLBSA-N	210.321	1.148	70	20	BDID	
C[C@@H](CCC(C)(C)C)NC(=O)[C@@H](C)N	161229549	RMEFQVHMVTVQOJ-DTWKUNHWSA-N	200.326	1.665	70	20	BDID	
COc1cc(NC(=O)c2cn[nH]c2)ccc1F	160504166	RCFFOPITCCHXGF-UHFFFAOYSA-N	235.218	1.810	70	20	BDID	
Cc1cc(C(=O)N2CCOCC2(C)C)ncn1	159581434	HZAWHTQRSUHVOW-UHFFFAOYSA-N	235.287	1.036	70	20	BDID	
CC(C)c1ncc(C(=O)NCCN(C)C)s1	161384832	LSTUECPHQSSZFT-UHFFFAOYSA-N	241.360	1.558	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)C(CC)CC	160516884	VBKVVKXRDNZQJJ-VIFPVBQESA-N	229.320	1.881	70	20	BDID	
CCCCSCCC(=O)NC[C@H](O)COC	159507122	QQTBAXCTTLUCEJ-JTQLQIEISA-N	249.376	1.033	70	20	BDID	
CN[C@H]1CCCN(C(=O)c2ccccc2N)C1	161273811	ZRSHVYNHGRDZLH-JTQLQIEISA-N	233.315	1.093	70	20	BDID	
CCOCCCN1CC[C@H]([C@@H](C)O)C1	159472127	UIEBDWOIIHTFOR-MNOVXSKESA-N	201.310	1.116	70	20	BDID	
O=C(NCCc1ccc(F)cc1)C(F)F	217645780	KRYNUTPFJDNDKL-UHFFFAOYSA-N	217.190	1.750	70	20	BDID	
O=S(=O)(Cl)Cc1ccc2c(c1)OCCO2	105280559	QKMASCWCGLOREP-UHFFFAOYSA-N	248.687	1.526	70	20	BDID	
COc1ccc([C@@H](N)C(C)=O)cc1OC	216726147	MBFVLUJIYXGBFI-NSHDSACASA-N	209.245	1.293	70	20	BDID	
CNc1ccc(C(=O)NCCOC(C)C)cn1	161220065	JSNARMWVMYOZAE-UHFFFAOYSA-N	237.303	1.278	70	20	BDID	
N#Cc1ccc(OCCS(=O)(=O)Cl)cc1	108304038	NHSIGPLGFRQGAY-UHFFFAOYSA-N	245.687	1.506	70	20	BDID	
CCc1ncnc(N[C@]2(C)CCOC2)c1F	218083906	PVNJIVKJNKKUHP-LLVKDONJSA-N	225.267	1.769	70	20	BDID	
C[C@H](CO)SCC(=O)N1CCCCC1	160778705	ULSUYYFQSPXBJX-SECBINFHSA-N	217.334	1.113	70	20	BDID	
CCCC[C@H](C(=O)OC)N1CCCOCC1	160799180	FBKCQYMLTHAUEA-LLVKDONJSA-N	229.320	1.441	70	20	BDID	
CN(CC1CCCCC1)S(=O)(=O)Cl	104761586	UNXLLGPAWILJHT-UHFFFAOYSA-N	225.741	1.982	70	20	BDID	
CN1CCC[C@@H]1CNC(=O)NC1(C)CCC1	160032806	LAKOSTUOOCYYNP-SNVBAGLBSA-N	225.336	1.322	70	20	BDID	
C[C@@H](CO)NC(=O)c1cc(F)cc2cccnc12	159833028	QCZCZKZQQHKQDI-QMMMGPOBSA-N	248.257	1.485	70	20	BDID	
CN(Cc1ccco1)C(=O)[C@@H]1CCCCO1	159935975	RJQAAYPYUBTOIF-NSHDSACASA-N	223.272	1.807	70	20	BDID	
CN(Cc1ccsc1)Cc1nncn1C	160709129	MNALOZILZSILPM-UHFFFAOYSA-N	222.317	1.509	70	20	BDID	
C[C@H]1C[C@H]1C(=O)NCC1(C)CCNCC1	159980458	FXZKYVYPCRAFNA-VHSXEESVSA-N	210.321	1.148	70	20	BDID	
O=C(c1ccccc1)N1CCc2ncncc2C1	218049687	IMKRSCKEWRFFRQ-UHFFFAOYSA-N	239.278	1.675	70	20	BDID	
C[C@@]1(O)CCCN(C(=O)CC(F)(F)F)C1	161034825	UPFSOZLTVJFSEM-MRVPVSSYSA-N	225.210	1.312	70	20	BDID	
COC[C@@H](C)CNc1ncccc1OC	160224651	MQEIHCTWFGFURZ-VIFPVBQESA-N	210.277	1.785	70	20	BDID	
C[C@H](C(=O)NCCCN)c1ccccc1F	160148984	PUEKLVJLSOTWQX-VIFPVBQESA-N	224.279	1.394	70	20	BDID	
COC[C@@H](C)C(=O)Nc1cc(C2CC2)nc(C)n1	160317708	ZDWFWHQBWNZMSW-MRVPVSSYSA-N	249.314	1.883	70	20	BDID	
CC[C@H](C)[C@@H](C)N[C@@H]1CCc2nc(C)nn2C1	160325392	IUSWPTQNMHWZGV-HOSYDEDBSA-N	236.363	1.926	70	20	BDID	
COC[C@H](C)NC(=O)c1cccn1C(C)C	160953024	RGGJTINZHWLKJI-JTQLQIEISA-N	224.304	1.834	70	20	BDID	
CC(=O)c1ccc(C(=O)NC[C@@H](C)CCO)cc1	160954256	IPJUPKMIBFLBCL-JTQLQIEISA-N	249.310	1.638	70	20	BDID	
C[C@@H]1CC[C@H](C(=O)NCCc2ccccc2O)O1	159644616	WEERUGNYGMIIOP-ZWNOBZJWSA-N	249.310	1.618	70	20	BDID	
C[C@H](N)C(=O)N[C@@H]1c2ccccc2C[C@H]1C	159880994	JZEDQGPXBHPLOZ-PTRXPTGYSA-N	218.300	1.383	70	20	BDID	
CCOC(C)(C)CNc1cc(C)nc2ncnn12	159527198	OVOKQDFCRQQNPX-UHFFFAOYSA-N	249.318	1.660	70	20	BDID	
NCC(F)(F)CNC(=O)c1ccccc1	160015014	NNIAIGIGGIJBHQ-UHFFFAOYSA-N	214.215	1.010	70	20	BDID	
Cn1cnnc1CN1CCC[C@@H]1c1ccc[nH]1	160803146	GAIVSQMQCMWZHL-LLVKDONJSA-N	231.303	1.480	70	20	BDID	
CC(C)(C)[C@H](O)CNC(=O)[C@@H]1CCCCO1	160843674	LRBMJTANPZCPTA-VHSXEESVSA-N	229.320	1.079	70	20	BDID	
Cc1cc(C(=O)Nc2c[nH]c(=O)c(C)c2)on1	159611056	PWRQBLSRZBKDTG-UHFFFAOYSA-N	233.227	1.232	70	20	BDID	
CC1(C)C[C@H](S(=O)(=O)Cl)C(C)(C)O1	126007245	JERUZYYAKYJBNR-LURJTMIESA-N	226.725	1.901	70	20	BDID	
Cc1c(CNc2cccc(F)n2)cnn1C	160439558	FFIWYXGKLSGQDR-UHFFFAOYSA-N	220.251	1.875	70	20	BDID	
C[C@H](N)C(=O)N[C@H](C)[C@H](C)c1ccccc1	160889522	VMCVLWFZNCLSNO-GARJFASQSA-N	220.316	1.642	70	20	BDID	
CCN(C)C(=O)CNC(=O)CC1CCCC1	159921975	GCJMNQMBYNSSCC-UHFFFAOYSA-N	226.320	1.161	70	20	BDID	
C[C@@H](NCCO)c1cnn(Cc2ccccc2)c1	159709334	QZFYXUVGBWCEMC-GFCCVEGCSA-N	245.326	1.574	70	20	BDID	
CCC1(CNC(=O)[C@H](N)CCSC)CC1	159633134	WFIJWAJEXSVWTG-SECBINFHSA-N	230.377	1.373	70	20	BDID	
C[C@@H](O)CCNCc1cc(O)cc(F)c1	159604896	IBWUNOMVNBJWNQ-MRVPVSSYSA-N	213.252	1.392	70	20	BDID	
COc1ccc(NC(=O)[C@]2(C)CCNC2)cc1N	161129631	DCTJIKSHXXIPDA-CYBMUJFWSA-N	249.314	1.216	70	20	BDID	
CCCC[C@H](COC)NC(=O)[C@@H](N)C(C)C	161166994	VDGIGSJVTZBZJZ-MNOVXSKESA-N	230.352	1.291	70	20	BDID	
CN(CCC1CCOCC1)C(=O)CCCN	161405725	LFPNMBJYZXYSAX-UHFFFAOYSA-N	228.336	1.000	70	20	BDID	
CCN(CC)CCNC(=O)N1[C@H](C)CC[C@H]1C	161484753	MLPICRWSYRCGMM-VXGBXAGGSA-N	241.379	1.911	70	20	BDID	
CCc1nnc(NC(=O)[C@H]2CCCCO2)s1	159607955	PJBKLSDHOZYDKJ-SSDOTTSWSA-N	241.316	1.608	70	20	BDID	
CCOC(=O)CN1CCC(NC(C)C)CC1	160499269	OMJUABQZZPYXBA-UHFFFAOYSA-N	228.336	1.012	70	20	BDID	
CC[C@H](N)C(=O)N1C[C@H](C)CCC[C@@H]1C	160935647	JSOXWCBVRLNUJI-VWYCJHECSA-N	212.337	1.761	70	20	BDID	
CC1CCN(C(=O)N2C[C@H](C)OC[C@H]2C)CC1	160360189	RVOZQNYJNBOVIY-NEPJUHHUSA-N	240.347	1.948	70	20	BDID	
CC[C@@]1(C)C[C@@H]1C(=O)NCC(=O)NC(C)(C)C	160158489	IZCUTXSCVIVFEI-RNCFNFMXSA-N	240.347	1.454	70	20	BDID	
C[C@H]1CN(CCOCC2CC2)CC(C)(C)O1	159665241	HABHEFRSOVVEQJ-NSHDSACASA-N	227.348	1.912	70	20	BDID	
CC[C@H](NC(=O)COC)c1c(C)noc1C	160058135	IZMSXVOOUAEWCJ-VIFPVBQESA-N	226.276	1.505	70	20	BDID	
CC(C)OC(=O)CCNC(=O)[C@H]1CCCCO1	160282366	HBGSDAPBNJDWSE-SNVBAGLBSA-N	243.303	1.013	70	20	BDID	
CCc1nnc([C@H](C)N(C)C[C@H](O)C2CC2)o1	160740044	WFZSEUQFLJYEKJ-WPRPVWTQSA-N	239.319	1.396	70	20	BDID	
CCCCCC(=O)NC(C)(C)CCO	160767601	FKWLEWQCZPNWDT-UHFFFAOYSA-N	201.310	1.844	70	20	BDID	
C[C@@H]1C[C@@H](C)CN(CCS(=O)(=O)Cl)C1	306673237	NAYRJCCOYGWPOU-RKDXNWHRSA-N	239.768	1.533	70	20	BDID	
CN[C@@H]1CCN(C(=O)c2ccc(OC)cc2C)C1	160697452	QGKPSYIMVMETBC-LLVKDONJSA-N	248.326	1.438	70	20	BDID	
CC(C)OCCSCCN1CCOCC1	159886370	OGXRDUUZQSFZKS-UHFFFAOYSA-N	233.377	1.477	70	20	BDID	
C[C@@H](NC(=O)C(F)F)c1ccccn1	217622262	PTCXXJWQWVMPIF-ZCFIWIBFSA-N	200.188	1.524	70	20	BDID	
C[C@@H]1CN(c2ncccn2)C[C@@H](C)N1C	217030204	TYLSXOKNYOFXJD-NXEZZACHSA-N	206.293	1.005	70	20	BDID	
CC(C)c1cc(=O)n(CC(=O)C(C)(C)C)cn1	160832145	DIIQDWIDEFJPQH-UHFFFAOYSA-N	236.315	1.982	70	20	BDID	
C[C@]1(O)CCCN(C(=O)NC2CCC2)C1	160897117	IXEWUEMOFBZYIK-NSHDSACASA-N	212.293	1.095	70	20	BDID	
Cc1cccc2c1N(CCS(=O)(=O)F)CC2	883954654	VKPMVASCRMEXPC-UHFFFAOYSA-N	243.303	1.657	70	20	BDID	
CC(C)C[C@@H](C)NC(=O)N[C@@H]1CCOC1	159430467	HRIGASJDMKZSTG-NXEZZACHSA-N	214.309	1.509	70	20	BDID	
CSC[C@](C)(O)CNCc1nccs1	217846175	WZJLXCIRGQGDGX-SECBINFHSA-N	232.374	1.347	70	20	BDID	
CCCC[C@@H](CN)NC(=O)[C@@]1(C)CCCNC1	161284030	OYTYKJWAVHQRGU-AAEUAGOBSA-N	241.379	1.010	70	20	BDID	
CC(C)[C@H](C)CC(=O)N(C)[C@H](C)CO	160369151	MIHDMQURHTVDFR-NXEZZACHSA-N	201.310	1.508	70	20	BDID	
CNCC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C	159886008	KIQWFFWHLMZHRP-CHWSQXEVSA-N	246.354	1.919	70	20	BDID	
CCCCN(CC)CCCCS(C)(=O)=O	161381584	WLCGGBZEZUTNOJ-UHFFFAOYSA-N	235.393	1.933	70	20	BDID	
Nc1nccnc1C(=O)OCCC1CC1	217709950	CIVHHFCKTUUJSJ-UHFFFAOYSA-N	207.233	1.016	70	20	BDID	
CC1(C)[C@@H]2CN(S(=O)(=O)Cl)C[C@H]21	306987669	ZINVUBFAPTZSLR-PHDIDXHHSA-N	209.698	1.058	70	20	BDID	
COc1ccc(NC(=O)C[C@H]2CCCN2)cc1N	161334102	FKYIZVLJUHUNSQ-SECBINFHSA-N	249.314	1.358	70	20	BDID	
NC[C@@H]1CCCN1C(=O)CCc1ccsc1	160133331	WBLGEYMCCLTEHH-NSHDSACASA-N	238.356	1.630	70	20	BDID	
O=C(Nc1nncs1)[C@H]1CCCCO1	160347109	FZTJOEIPYOYYHL-ZCFIWIBFSA-N	213.262	1.046	70	20	BDID	
Cc1cc(NC(=O)NCc2ccco2)nn1C	159597624	DMYJQMFSBYUTQL-UHFFFAOYSA-N	234.259	1.643	70	20	BDID	
CC(C)CC(=O)N1CCc2ncncc2C1	218062789	VFCNHLDDFLQLKJ-UHFFFAOYSA-N	219.288	1.407	70	20	BDID	
COC[C@H](C)NC(=S)NC[C@@H](C)SC	159575993	PCXVOAXFYGVOGQ-JGVFFNPUSA-N	236.406	1.237	70	20	BDID	
CC[C@H](CCO)NCc1ccncc1Cl	217840983	VSXUPYXGSUZYIB-SNVBAGLBSA-N	228.723	1.986	70	20	BDID	
O=C(NCC1(C2CC2)CC1)[C@H]1CCCO1	160075866	MZMSZRLDGNYDBH-SNVBAGLBSA-N	209.289	1.472	70	20	BDID	
CCc1ncnc(N(C)[C@@H]2CCOC2)c1F	159594095	RGRIGVJEOHIWJA-MRVPVSSYSA-N	225.267	1.403	70	20	BDID	
C[C@H](NCCO)c1ccnc(Cl)c1	159702428	VSEGJAZNSZXHMB-ZETCQYMHSA-N	200.669	1.378	70	20	BDID	
Cn1c(C(=O)NC[C@H]2CC=CCC2)cccc1=O	161277442	UFYYUMLYHWYUAV-NSHDSACASA-N	246.310	1.471	70	20	BDID	
COc1ccc(NC(=O)C[C@@H]2CCCN2)cc1N	161333975	FKYIZVLJUHUNSQ-VIFPVBQESA-N	249.314	1.358	70	20	BDID	
CC(=O)NOCc1noc(C2CCCCC2)n1	160742233	SVZACJCLNIEACV-UHFFFAOYSA-N	239.275	1.685	70	20	BDID	
C[C@H](O)CC(C)(C)CNC(=O)[C@@H]1CCCCO1	159694119	NEEQTTNIHCXGCP-QWRGUYRKSA-N	243.347	1.469	70	20	BDID	
CC[C@H](N)C(=O)N1C[C@@H](C)CCC[C@@H]1C	160935780	JSOXWCBVRLNUJI-DCAQKATOSA-N	212.337	1.761	70	20	BDID	
O=S(=O)(F)CCN1CCc2c(F)cccc21	883954449	NWTGRGDNVMUVHA-UHFFFAOYSA-N	247.266	1.488	70	20	BDID	
OCCN(CC(F)(F)F)C1CCOCC1	218077488	JATSVKLXRMBSBJ-UHFFFAOYSA-N	227.226	1.022	70	20	BDID	
Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2CN)cc1	160234324	XEBRYVUSXVNLFJ-MYSGNRETSA-N	244.338	1.958	70	20	BDID	
CCCC1(CNC(=O)Cc2ccon2)CC1	160665517	NPFVYFBKHUBFTN-UHFFFAOYSA-N	222.288	1.914	70	20	BDID	
CN(C(=O)N[C@@H]1CCOC1)c1ccc(F)cc1	159461518	XZIDVHWBMBTLAI-SNVBAGLBSA-N	238.262	1.760	70	20	BDID	
CN(CCCN1CCCCC1)C[C@H]1CCOC1	161397076	PHCWBCUGVVGTKD-CQSZACIVSA-N	240.391	1.831	70	20	BDID	
COCCNC(=S)N[C@H](C)C1CCC1	160038707	HPESWUWMEBWMGD-MRVPVSSYSA-N	216.350	1.286	70	20	BDID	
Cc1cc(N)nc(SCc2ccnn2C)n1	161277463	PPECIAUQTOUETA-UHFFFAOYSA-N	235.316	1.393	70	20	BDID	
CC(C)(CCO)NC(=O)c1ccsc1	160769492	SNEZXLKSRRXXDE-UHFFFAOYSA-N	213.302	1.639	70	20	BDID	
CCN(CC(C)C)C(=O)[C@@H]1CCn2ccnc2C1	159574948	WIEKUQRWWJFAGH-GFCCVEGCSA-N	249.358	1.950	70	20	BDID	
O=[N+]([O-])c1ccc(S(=O)(=O)F)c(F)c1	675052075	YMOSGNMTTZWTAO-UHFFFAOYSA-N	223.156	1.392	70	20	BDID	
CC(C)(CO)CCCNC(=O)[C@H]1CCCCO1	160768083	VPUQMHQGCOEEIY-LLVKDONJSA-N	243.347	1.470	70	20	BDID	
CC[C@H](NC(=O)[C@@H](C)NC(C)=O)c1ccccc1	216664687	HAPIDGHJDJIJKE-MFKMUULPSA-N	248.326	1.779	70	20	BDID	
C[C@H](O)CNC(=O)Nc1c(F)cccc1Cl	217313161	HJXDQLMGZAQSNJ-LURJTMIESA-N	246.669	1.981	70	20	BDID	
C[C@H](NCc1nncn1C)c1cscn1	161154651	JPRSYFZWRJMYPA-ZETCQYMHSA-N	223.305	1.122	70	20	BDID	
CCN(C)C(=O)c1cccc(S(=O)(=O)F)c1	675064546	KSLRWEQLWOVGQA-UHFFFAOYSA-N	245.275	1.437	70	20	BDID	
O=C(NCCc1cccc(O)c1)C1CCOCC1	160153686	YWQPEZMFEILKOD-UHFFFAOYSA-N	249.310	1.478	70	20	BDID	
Cc1cccc([C@H](C)NC(=O)[C@H](C)N)c1C	160833679	YWQPWMKMHIHMSL-QWRGUYRKSA-N	220.316	1.828	70	20	BDID	
C[C@H]1CCCCN1C(=O)[C@@H]1CCCCO1	159628374	LHJKSYYWOHOGBQ-QWRGUYRKSA-N	211.305	1.957	70	20	BDID	
CONC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	159851330	XTOYFTRYFCZECJ-JGVFFNPUSA-N	227.210	1.746	70	20	BDID	
CCCCSCCC(=O)NC[C@@H](O)COC	159507265	QQTBAXCTTLUCEJ-SNVBAGLBSA-N	249.376	1.033	70	20	BDID	
CCCN1CCCN(C(=O)C2CC2)CC1	160384185	RSVYDYSTSHGCAO-UHFFFAOYSA-N	210.321	1.341	70	20	BDID	
C[C@H]1CSCCN1C(=O)c1ccncc1F	161405531	QAUFZKGYGONPLQ-QMMMGPOBSA-N	240.303	1.798	70	20	BDID	
CCC[C@H](C)C(=O)N[C@@H](CCO)C(C)C	160561329	VYZHQHLTQJYPDP-QWRGUYRKSA-N	215.337	1.946	70	20	BDID	
COCCOCCN[C@@H](C)c1cscn1	161167673	BKHWZIJBYZLVDH-VIFPVBQESA-N	230.333	1.457	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)CCc1ccoc1	161112621	MLONYHQBILAOBR-GFCCVEGCSA-N	239.315	1.735	70	20	BDID	
CSC[C@H](C)NC(=O)NC1(C)CCC1	161381518	UNICTQPPDBEJLP-QMMMGPOBSA-N	216.350	1.980	70	20	BDID	
O=C(NCC1CCSCC1)N[C@H]1CCOC1	159457655	NEQBNXARWLFPBQ-JTQLQIEISA-N	244.360	1.218	70	20	BDID	
CCSCC[C@H](C)NC(=O)CNC1CC1	159622334	NGRIFERUAXZETG-VIFPVBQESA-N	230.377	1.386	70	20	BDID	
Cc1c(Cl)cnn1CCS(=O)(=O)F	883953900	PGJDIFUAHLMIEI-UHFFFAOYSA-N	226.660	1.144	70	20	BDID	
CCC[C@@H](O)CNCc1cncn1CC	217722065	ZEQZXYNLSQCSRC-LLVKDONJSA-N	211.309	1.154	70	20	BDID	
COC[C@H](C(C)C)S(=O)(=O)Cl	125661718	CZGXYHKKIDHXJI-ZCFIWIBFSA-N	200.687	1.226	70	20	BDID	
CC(C)OC(=O)CCNC(=O)[C@@H]1CCCCO1	160282225	HBGSDAPBNJDWSE-JTQLQIEISA-N	243.303	1.013	70	20	BDID	
CC[C@@H](O)CCNC(=O)N[C@@H](C)C(C)C	160677144	JDINWQLYKDRJDA-VHSXEESVSA-N	216.325	1.491	70	20	BDID	
CC(C)(C)OCCSCCN1CCOCC1	159811959	XGGNEBDEFADBEJ-UHFFFAOYSA-N	247.404	1.867	70	20	BDID	
CC[C@H]1CCN(C(=O)N[C@@H]2CCOC2)C1	159433282	DBIHIOZADHJPRN-VHSXEESVSA-N	212.293	1.217	70	20	BDID	
CC[C@@H](C)N(C)C(=O)N[C@H]1CCOC1	159545416	YVMLQWWQXKHLJH-BDAKNGLRSA-N	200.282	1.215	70	20	BDID	
CN(CC1CC1)C(=O)[C@]1(C)CCCCN1	159572172	BJUGDBZSHKNGAD-LBPRGKRZSA-N	210.321	1.387	70	20	BDID	
CN(CCN1CCCCC1)C[C@H]1CCC[C@@H]1O	159499024	PWQSVPHNUCECPM-KGLIPLIRSA-N	240.391	1.565	70	20	BDID	
CCc1nc(CN(Cc2ccccc2)OC)n[nH]1	160716775	PEEIXFATEKOFDX-UHFFFAOYSA-N	246.314	1.931	70	20	BDID	
O=S(=O)(Cl)CCCOC1CCCC1	112155089	SSWODYSFDNOPFT-UHFFFAOYSA-N	226.725	1.904	70	20	BDID	
CC/C=C(\C)C(=O)N1CC(O)(C(C)C)C1	216965644	LHZUABPYQRMRQF-UXBLZVDNSA-N	211.305	1.572	70	20	BDID	
CCS(=O)(=O)NCC1(C2CC2)CC1	160108833	HOVZKFVDNIUQEA-UHFFFAOYSA-N	203.307	1.116	70	20	BDID	
COCC(=O)Nc1ccc(F)c(OC)c1	160555359	OWIIRSKGGGQPHY-UHFFFAOYSA-N	213.208	1.419	70	20	BDID	
O=S(=O)(Cl)Cc1csc(Cl)n1	307711568	UNWXFVIHJRMHQV-UHFFFAOYSA-N	232.113	1.865	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)[C@H](C)OCC1CC1	160917266	PNABEDBAPNVKDD-JQWIXIFHSA-N	243.347	1.325	70	20	BDID	
C[C@H](CNC(=O)N[C@@H]1CCOC1)C(C)(C)C	159407590	GOTOPZZLGCNMAZ-NXEZZACHSA-N	228.336	1.757	70	20	BDID	
C[C@H](NC(=O)N[C@@H]1CCOC1)c1cccnc1	159440834	RQXNKSZCFHISKB-GXSJLCMTSA-N	235.287	1.231	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cnsn1	159598736	OEOQWNKWPZFZIN-YUMQZZPRSA-N	225.317	1.847	70	20	BDID	
CC[C@@H](O)CCNCC1(O)CCCC1	218777750	MZLFRYMHQPFOFN-SNVBAGLBSA-N	201.310	1.042	70	20	BDID	
CCCC(=O)N[C@H]1CCC[C@@H]1NC(=O)CCC	217802442	DGLFBBQNJNFSRT-QWRGUYRKSA-N	240.347	1.740	70	20	BDID	
CCSCCN1CCC2(C1)OCCO2	160631104	YAVVEJAWHNXLJI-UHFFFAOYSA-N	217.334	1.188	70	20	BDID	
OCCOCCn1nc(Cl)c2ccccc21	159465218	OXXWMLZNONCMMI-UHFFFAOYSA-N	240.690	1.699	70	20	BDID	
C[C@H]1C[C@@H](C)N(Cc2cnc(N)s2)C1	161298681	KUBIDTKLKSNXQK-JGVFFNPUSA-N	211.334	1.956	70	20	BDID	
CCC[C@H](C)CC(=O)NCC[C@H](O)COC	161397305	FBBCIPLDSZDGTF-QWRGUYRKSA-N	231.336	1.326	70	20	BDID	
COCCN(C)c1ccncc1Br	159958549	KGOXYYCWBCRFPO-UHFFFAOYSA-N	245.120	1.927	70	20	BDID	
OC[C@H]1CCCCN1C[C@@H](O)Cc1ccccc1	159828496	YQXFSTJTDIVLBM-CABCVRRESA-N	249.354	1.437	70	20	BDID	
CC[C@]1(C)C[C@@H]1C(=O)N(C)CC(=O)NC(C)C	160112267	BOMHNWMGXAVWNY-ZWNOBZJWSA-N	240.347	1.406	70	20	BDID	
CN(C(=O)c1cocn1)c1ccc2c(c1)OCO2	160583995	DCVKRUBTQYGOMM-UHFFFAOYSA-N	246.222	1.680	70	20	BDID	
O=C(NCCC(F)(F)F)N[C@@H]1CCOC1	159416801	KROIFJPTXPIVAX-ZCFIWIBFSA-N	226.198	1.027	70	20	BDID	
C[C@H](CNC(=O)N[C@H]1CCOC1)c1ccccc1	159361205	NZSVARQGGDGLRJ-YPMHNXCESA-N	248.326	1.878	70	20	BDID	
CC(C)OC[C@@H](O)CN1CCO[C@@H]2CCC[C@@H]21	217900686	JAPPJRPBNXXMDS-RWMBFGLXSA-N	243.347	1.026	70	20	BDID	
CCC(CC)CNC(=O)N[C@H]1CCOC1	159401640	BTPKETSNISFXIB-JTQLQIEISA-N	214.309	1.511	70	20	BDID	
CCC(C)(CC)C(=O)NC[C@@H](C)CO	159436856	MJWLRVDGCMADCJ-SECBINFHSA-N	201.310	1.557	70	20	BDID	
CCc1nsc(N2CCC[C@](C)(O)C2)n1	160844868	VAJHLGAUPYVPOF-JTQLQIEISA-N	227.333	1.452	70	20	BDID	
CC(C)[C@@H](O)CN[C@H](C)c1cscn1	161201716	FSEKWBUFJIBTAJ-SCZZXKLOSA-N	214.334	1.811	70	20	BDID	
CC[C@@H](CCO)Nc1cc(NC)ncn1	218550404	LKRYAWLZUTWFJN-QMMMGPOBSA-N	210.281	1.091	70	20	BDID	
COC[C@@H](C)SCCN1CCOCC1	160035045	GCGQUCBDONTGEN-SNVBAGLBSA-N	219.350	1.087	70	20	BDID	
COc1cccnc1N[C@@H](C)CCN(C)C	160220492	ZWJWMQFVVQVSHF-JTQLQIEISA-N	223.320	1.842	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)C(C)(C)CC	160351031	YQFYLQBJBLHAMC-VIFPVBQESA-N	229.320	1.881	70	20	BDID	
COc1ccccc1OC[C@@H](C)CNC(N)=O	160574507	SMVBIPHZKQCORD-VIFPVBQESA-N	238.287	1.378	70	20	BDID	
CC(C)C[C@H](C)NC(=O)N[C@@H]1C=C[C@H](CO)C1	159914640	ABBZRKFZFRQWQI-SDDRHHMPSA-N	240.347	1.657	70	20	BDID	
C1=CCC(N[C@H]2CCN3CCC[C@@H]3C2)C1	159988273	NJQDJLUCHWGFTA-QWHCGFSZSA-N	206.333	1.921	70	20	BDID	
CCN(CCCO)C(=O)[C@@H]1CCCS1	160294908	UDXKHJAIHRDMHG-VIFPVBQESA-N	217.334	1.113	70	20	BDID	
CNC(=O)CN1CCC[C@H]1c1cccc(C)n1	160297756	YXOFAYVGBRGTED-LBPRGKRZSA-N	233.315	1.273	70	20	BDID	
CCOC(C)(C)CNc1ccnc(N(C)C)n1	159543636	XBYHUTQCWGVGIB-UHFFFAOYSA-N	238.335	1.770	70	20	BDID	
CC(C)(C)[C@H](F)CS(=O)(=O)Cl	257862054	OWGKRBCBSJLGII-RXMQYKEDSA-N	202.678	1.939	70	20	BDID	
C/C=C/C=C\C(=O)N(C)CC(=O)OCC	218159407	GINOABSPGZZQRH-AQXDOAQYSA-N	211.261	1.140	70	20	BDID	
CC[C@H]([C@H]1CCOC1)S(=O)(=O)Cl	307447823	QCHSJVMROSYPMA-NKWVEPMBSA-N	212.698	1.370	70	20	BDID	
CCCCO[C@@H](C)C(=O)N1CC[C@@H](NC)C1	160756661	NJFRISGUEZJDJY-WDEREUQCSA-N	228.336	1.012	70	20	BDID	
Cc1ccc(NC(=O)C(=O)NCC(C)C)cn1	159731409	AUQHTZWYWXREDG-UHFFFAOYSA-N	235.287	1.101	70	20	BDID	
O=S(=O)(Cl)Cc1nccn1C1CC1	100272440	OXOQLBUYIXXIHD-UHFFFAOYSA-N	220.681	1.287	70	20	BDID	
CC[C@@H](C)N1CCN(C(=O)N2CCCC2)CC1	160518608	IWGQBTBZROPYLB-GFCCVEGCSA-N	239.363	1.618	70	20	BDID	
Cc1cccc(C(=O)N2CCOC[C@H]2C)c1F	161448949	UGKHPTCNFZEMHX-SNVBAGLBSA-N	237.274	1.995	70	20	BDID	
C[C@@H]1CN(C(=O)N[C@@H]2CCOC2)C[C@H]1C	159440460	PLSZINDVPODJDT-OPRDCNLKSA-N	212.293	1.073	70	20	BDID	
CC(C)c1cc(=O)n(Cc2ccccn2)cn1	160717304	AUVFYDGYFSYPAX-UHFFFAOYSA-N	229.283	1.810	70	20	BDID	
C[C@@H]1CCC[C@H](C(=O)NCc2nncn2C)C1	160132194	IMVJWKWOSRISFS-ZJUUUORDSA-N	236.319	1.258	70	20	BDID	
CC1(C)CCC[C@@H](NC(=O)N2CCOCC2)C1	160721649	DSORKPHSVGSQCY-LLVKDONJSA-N	240.347	1.997	70	20	BDID	
CCc1nc(C(=O)N[C@H](CC)CCO)co1	159465863	VVVJDBPISVIREI-MRVPVSSYSA-N	226.276	1.128	70	20	BDID	
CCOc1cc(CNC(=O)O)ccc1OC	218113005	VGTUNCPKNMHPQI-UHFFFAOYSA-N	225.244	1.862	70	20	BDID	
CCC(CC)C(=O)N1CCc2ncncc2C1	218064878	HWHACKYPJAGAKH-UHFFFAOYSA-N	233.315	1.798	70	20	BDID	
O=C(N[C@@H]1CCC[C@H]1O)c1cc2ccccn2c1	161178378	VVELMDVTQJEZIE-CHWSQXEVSA-N	244.294	1.583	70	20	BDID	
Cc1ccc(-c2nnc(NC(=O)[C@H]3C[C@@H]3C)[nH]2)o1	160170003	KDTRSZRUEBYCTJ-XPUUQOCRSA-N	246.270	1.968	70	20	BDID	
CC[C@@H](N[C@H]1CCc2nc(C)nn2C1)C(C)C	160482635	BNBUMHJJWKOIDX-NWDGAFQWSA-N	236.363	1.926	70	20	BDID	
CCCCO[C@@H](C)C(=O)NC[C@H](C)CCO	160966286	HLMVBHHJLBZMKO-MNOVXSKESA-N	231.336	1.326	70	20	BDID	
CCc1nnc([C@H](C)Nc2cc(C)n(C)n2)o1	159617329	TZOFFOPBXKBMSB-QMMMGPOBSA-N	235.291	1.847	70	20	BDID	
CN(CC1CCCC1)C(=O)N[C@H]1CCOC1	159433003	QNMRILZAFUVTKM-NSHDSACASA-N	226.320	1.607	70	20	BDID	
CCCC[C@@H](COC)NC(=O)C[C@H]1CCCN1	159654766	UCIIXCSZYPVRLG-NEPJUHHUSA-N	242.363	1.450	70	20	BDID	
COc1cccnc1NC1CCOCC1	159469460	IMICJOPQDSICCA-UHFFFAOYSA-N	208.261	1.681	70	20	BDID	
CN1CC[C@H](CNC(=O)N2CCCCCC2)C1	160378155	NHUASVHEHAHXRK-GFCCVEGCSA-N	239.363	1.524	70	20	BDID	
CN(C)[C@H](CNC(=O)C(F)F)c1ccco1	217612202	PHCTWMOIBSQWMG-SSDOTTSWSA-N	232.230	1.264	70	20	BDID	
COC[C@@H](C)N(C)C[C@@H](N)CC(C)C	218672653	DMHAQBGDLDSILK-MNOVXSKESA-N	202.342	1.327	70	20	BDID	
COC[C@@H](C)N(C)Cc1cc(O)cc(F)c1	159824369	AJEZNORDTJOTCD-SECBINFHSA-N	227.279	1.998	70	20	BDID	
CN(Cc1ccsc1)C(=O)N[C@H]1CCOC1	159444294	WTHGAZNYBUCXGA-JTQLQIEISA-N	240.328	1.678	70	20	BDID	
C[C@@H]1CCCN(CCCCS(C)(=O)=O)C1	161082681	GIZASRTUOMFYLZ-LLVKDONJSA-N	233.377	1.543	70	20	BDID	
C[C@@H]1CCC[C@H](C(=O)N2CCNCC2)C1	159410585	UHSQMJPCOWNLBD-MNOVXSKESA-N	210.321	1.245	70	20	BDID	
COC[C@H](C)NC(=S)N[C@@H](C)C1CCC1	160039379	CTIQSJMVGHERQG-IUCAKERBSA-N	230.377	1.674	70	20	BDID	
CC(C)n1ccnc1CN(C)Cc1cnn(C)c1	160703863	QIWNBPBOCKKDKE-UHFFFAOYSA-N	247.346	1.830	70	20	BDID	
CN(C[C@@](C)(O)c1ccccc1)C(=O)CCl	145046583	UGKBWEPLAOAYLZ-GFCCVEGCSA-N	241.718	1.591	70	20	BDID	
C[C@@H](N)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1	161054057	AEPNQQKKXHBOIZ-BNOWGMLFSA-N	246.354	1.861	70	20	BDID	
NC(=O)c1ccccc1OCc1nccs1	161132805	SPJLXYLVEOKDBY-UHFFFAOYSA-N	234.280	1.821	70	20	BDID	
CC(C)[C@H](N)C(=O)N(C)CCC1CCOCC1	161404839	BQPOQUGZGWCXGT-LBPRGKRZSA-N	242.363	1.245	70	20	BDID	
C[C@@H](C(=O)NCC1(N)CCCCC1)C1CC1	159534172	JSKRHNTZBSEQFG-SNVBAGLBSA-N	224.348	1.810	70	20	BDID	
CN(Cc1nncn1C)c1ccc(F)cc1	160816706	UYQBOWRWMYNHIB-UHFFFAOYSA-N	220.251	1.591	70	20	BDID	
Cc1cc(C[C@H](C)NC(=O)C(C)(C)C)n[nH]1	161067379	AAUQTRAWXWTQHI-QMMMGPOBSA-N	223.320	1.811	70	20	BDID	
Cn1nccc1CSc1ncnc2[nH]cnc12	161378764	SMZMWJKOHPFIRP-UHFFFAOYSA-N	246.299	1.379	70	20	BDID	
C[C@H](N)C(=O)N1CCC[C@](C)(c2ccccc2)C1	160102155	KLLPNBUAOVEAMU-WFASDCNBSA-N	246.354	1.914	70	20	BDID	
COC(=O)c1nccc(NCCOC(C)C)n1	160607115	PEYRDFDRDKUCFM-UHFFFAOYSA-N	239.275	1.100	70	20	BDID	
Cc1ccc(CN2CCC3(C2)OCCO3)cc1	160672956	HQTPXKATZDSMQL-UHFFFAOYSA-N	233.311	1.944	70	20	BDID	
COCCOCCN[C@H](C)c1cscn1	161167797	BKHWZIJBYZLVDH-SECBINFHSA-N	230.333	1.457	70	20	BDID	
COc1cccc(CS(=O)(=O)Cl)n1	112044011	AULNRSZUXUWVDE-UHFFFAOYSA-N	221.665	1.159	70	20	BDID	
CS[C@@H](C)CC(=O)Nc1nncs1	160242453	OYBLTAKBWQZARU-YFKPBYRVSA-N	217.319	1.618	70	20	BDID	
CC[C@H](C)OCC(=O)N1C[C@H](C)OC(C)(C)C1	161467653	DSAVDIAHFOJCEZ-QWRGUYRKSA-N	243.347	1.827	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccoc1C	160719061	LWMOBPWIFZLZRN-MRVPVSSYSA-N	239.271	1.660	70	20	BDID	
C[C@@H]1NCCC[C@@H]1NC(=O)c1ccsc1	160542482	FFKLHCWXTAYQDV-WPRPVWTQSA-N	224.329	1.618	70	20	BDID	
CCC[C@H]1C[C@H](S(=O)(=O)Cl)CCO1	112132176	WTBYSCKWNAXNBO-JGVFFNPUSA-N	226.725	1.903	70	20	BDID	
COc1ccnc(NC(=O)[C@@H]2CCCN2C)c1	161430928	QGQPJZVXUGLRTM-JTQLQIEISA-N	235.287	1.123	70	20	BDID	
NCCCC(=O)N1CCOc2cc(F)ccc21	160816036	FMISKKLAJFSKJF-UHFFFAOYSA-N	238.262	1.290	70	20	BDID	
Cc1cc(NC(=O)[C@H]2CCCOC2)c[nH]c1=O	159792940	VNQPREQPRVGZTH-VIFPVBQESA-N	236.271	1.048	70	20	BDID	
CCCN(CCC)C(=O)OCCOC	218004740	KTQLUHRZENPGKC-UHFFFAOYSA-N	203.282	1.891	70	20	BDID	
CN1CCC[C@H](N(C)C(=O)NC2CCCC2)C1	160513733	IEQPJLWMTBRRTE-LBPRGKRZSA-N	239.363	1.665	70	20	BDID	
COc1ccc(CN(C)C(=O)C(F)F)cc1	217665065	NTBBKRLRZVAEHU-UHFFFAOYSA-N	229.226	1.919	70	20	BDID	
CC[C@H](O)CCN[C@H]1CCC[C@@H](N)C1	218754006	MTXXITMGMXJCKE-VWYCJHECSA-N	200.326	1.007	70	20	BDID	
CC[C@@H](CCO)NC(=O)[C@@H]1CCSC1	160133164	QNFONDCGTCLLNF-BDAKNGLRSA-N	217.334	1.017	70	20	BDID	
CCN(CCO)c1ccncc1Br	159936350	BBHDVTNIBLOTAS-UHFFFAOYSA-N	245.120	1.663	70	20	BDID	
CCCC1(CNC(=O)[C@H]2CN(C)CCO2)CC1	160553155	QNVAQILUBUWWEU-LLVKDONJSA-N	240.347	1.014	70	20	BDID	
NC(=O)[C@H]1CCCN1Cc1ccsc1	160368370	QTLURCKLKJQCLB-SECBINFHSA-N	210.302	1.198	70	20	BDID	
COCCC(=O)OCc1nc(C)sc1C	161063802	LYIPSQFWHCQAOD-UHFFFAOYSA-N	229.301	1.840	70	20	BDID	
CO[C@H](C)C(=O)N1CCc2c(F)cccc2C1	161093596	YEGWIMHHUISQMX-SECBINFHSA-N	237.274	1.745	70	20	BDID	
CNCCNCc1cncc(Br)c1	161234589	NOUDZWQWMCDOMQ-UHFFFAOYSA-N	244.136	1.153	70	20	BDID	
CCCN1CCCN(C(=O)[C@@H](C)CC)CC1	160354475	ZMWSXDUEGQZRIE-LBPRGKRZSA-N	226.364	1.977	70	20	BDID	
C[C@@H](c1ccncc1)N1CCC[C@@H](N)C1	217498363	CTVYNFPXCDGTMV-CMPLNLGQSA-N	205.305	1.566	70	20	BDID	
O=S(=O)(C[C@@H]1CCCCO1)C1CCOCC1	160040929	BJFBWCIQCGHAAB-JTQLQIEISA-N	248.344	1.149	70	20	BDID	
CCC(CC)CNC(=O)NC[C@](C)(O)CC	160551972	RCIUBQYWILSDBV-GFCCVEGCSA-N	230.352	1.883	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@H]1CC=CCC1	160860066	OAQKQMLSHSXRKA-QWRGUYRKSA-N	239.315	1.801	70	20	BDID	
CCc1nc(C(=O)NCCOC(C)C)co1	159803624	RWBSGJQFDXVLDB-UHFFFAOYSA-N	226.276	1.392	70	20	BDID	
CCCCC(=O)N(CC(N)=O)CC(C)C	159741685	IHPJGZAZKKIFEG-UHFFFAOYSA-N	214.309	1.147	70	20	BDID	
CC(C)CC(=O)NCC1(C)CCNCC1	159979927	ZKLIOONEEGQVCM-UHFFFAOYSA-N	212.337	1.538	70	20	BDID	
CN1CCC[C@@H]1CNCc1nccs1	218140277	QYRQBODPMZTHFE-SECBINFHSA-N	211.334	1.327	70	20	BDID	
COC(=O)[C@H]1C[C@@H]1C(=O)NCC1(C2CC2)CC1	159730914	DKUXKEOUCMLGFS-UWVGGRQHSA-N	237.299	1.102	70	20	BDID	
C[C@H]1CCCN1C(=O)[C@@]1(C)CCCCN1	159578559	AOUPGGFZFMZULA-CMPLNLGQSA-N	210.321	1.530	70	20	BDID	
CC[C@H]1CC[C@@H](C)N1S(=O)(=O)Cl	136066431	KNALMJBJXANLTD-RQJHMYQMSA-N	211.714	1.733	70	20	BDID	
CSC[C@H](CCO)N[C@@H](C)[C@H]1CCOC1	160200300	YOFORSLRAHNDCZ-DCAQKATOSA-N	233.377	1.115	70	20	BDID	
CCc1ccc(Cn2ncn(C)c2=O)cc1	160781662	ALLVWLIPGNPISU-UHFFFAOYSA-N	217.272	1.193	70	20	BDID	
CCCCO[C@H](C)C(=O)N[C@H]1CCC[C@H](N)C1	161297969	WECMMLZUXHZABK-WOPDTQHZSA-N	242.363	1.578	70	20	BDID	
CCc1nc(CN(C(C)C)C(C)C)n[nH]1	160236074	VTOPKQOXMFZBAE-UHFFFAOYSA-N	210.325	1.986	70	20	BDID	
C[C@H]1CCC[C@H](C(=O)NCC(C)(C)C(N)=O)C1	160883802	JKURXABBGZAPDZ-UWVGGRQHSA-N	240.347	1.440	70	20	BDID	
C[C@H](O)CN(C)[C@@H]1CCN(c2ccccc2)C1=O	159368187	UWWKNYNXBYYUTH-WCQYABFASA-N	248.326	1.105	70	20	BDID	
O=C1COc2ccc(NC(=O)C(F)F)cc2N1	217645357	MWHJZIGBXOXFLG-UHFFFAOYSA-N	242.181	1.221	70	20	BDID	
C[C@H]1COCCN1C(=O)[C@H]1CCC(=O)C[C@H]1C	159857964	MKCWQFMHBHHYAS-SCVCMEIPSA-N	239.315	1.239	70	20	BDID	
Cc1cc(NC(=O)CCc2ccoc2)c[nH]c1=O	159677871	NPTODBDEDWIQEH-UHFFFAOYSA-N	246.266	1.848	70	20	BDID	
C[C@@H]1CC[C@H](C(=O)Nc2ncccc2O)O1	159561228	PFDBEXDNCYYKTK-VXNVDRBHSA-N	222.244	1.293	70	20	BDID	
COCCCCCNCc1ccnn1C	218240864	FKHVFHMRWIRHIO-UHFFFAOYSA-N	211.309	1.326	70	20	BDID	
CC[C@H](C)N(C)CCN[C@@H]1CCN(C)C[C@@H]1C	160096050	PDRUZIFOMQHFAQ-MELADBBJSA-N	241.423	1.647	70	20	BDID	
O=S(=O)(F)Oc1cccc2c1CCC2	1887579217	LSPLFMQDWDSORA-UHFFFAOYSA-N	216.233	1.768	70	20	BDID	
CC(C)[C@@H](C)C(=O)N[C@@H]1CCC[C@@H]1CO	217939370	BDCYPULNNIDACB-GMTAPVOTSA-N	213.321	1.556	70	20	BDID	
CCc1ccccc1C(=O)NCc1cc[nH]n1	160101771	IZAURCZRSQRTQM-UHFFFAOYSA-N	229.283	1.902	70	20	BDID	
CCN(CCCO)C(=O)CCC(F)(F)F	160314216	TWRVPODYRYFOIH-UHFFFAOYSA-N	227.226	1.560	70	20	BDID	
CCC[C@H](C)C(=O)N[C@H](CCO)C(C)C	160561538	VYZHQHLTQJYPDP-WDEREUQCSA-N	215.337	1.946	70	20	BDID	
CCN(C)C(=O)CCCc1nc(C2CC2)no1	159590282	KQVHWZOKJURWSJ-UHFFFAOYSA-N	237.303	1.748	70	20	BDID	
CC[C@@](C)(O)CN1CCC[C@H](CCC(N)=O)C1	160851640	UTAXXWBSUNZJPB-DGCLKSJQSA-N	242.363	1.125	70	20	BDID	
CC[C@H](C)OCC(=O)NC[C@H](OC)C(C)(C)C	159493449	NZYGXDNGBXTQTP-QWRGUYRKSA-N	245.363	1.979	70	20	BDID	
CS[C@@H](C)CC(=O)NCc1nccs1	159705847	WUKKYHVAPFKHOL-ZETCQYMHSA-N	230.358	1.901	70	20	BDID	
C[C@@H](N)C(=O)N[C@H]1CCC[C@H]1c1ccccc1	159720727	KGYYCANFZYVEPO-WXHSDQCUSA-N	232.327	1.786	70	20	BDID	
Cc1cc(NC(=O)CC2CCC2)c[nH]c1=O	159572841	OUFQKKOYMPHOIQ-UHFFFAOYSA-N	220.272	1.812	70	20	BDID	
Cc1nccn1CCCN1CCC[C@H](CO)C1	161270014	CAYXBSSAWXMHBI-ZDUSSCGKSA-N	237.347	1.286	70	20	BDID	
O=C(N[C@H]1CCC[C@H]1CO)[C@@H]1Cc2ccccc21	217940617	HNQLCVRSFUNHNZ-YUTCNCBUSA-N	245.322	1.604	70	20	BDID	
CC[C@@H](C)N[C@H]1CCc2nc(C)nn2C1	160481232	YYKBZJHQJAWCKX-SCZZXKLOSA-N	208.309	1.289	70	20	BDID	
CC(C)(C)OC(=O)NC[C@@H](O)COCC1CC1	160708411	MIWGGYOUNHHAQF-SNVBAGLBSA-N	245.319	1.299	70	20	BDID	
CCNCCNCc1cccc(F)c1F	161297831	OWDDGJVAVXKRIU-UHFFFAOYSA-N	214.259	1.664	70	20	BDID	
C[C@@H](Nc1ccc2nnnn2n1)C1CCC1	160059486	KJNKPYHVGSNEMY-SSDOTTSWSA-N	218.264	1.120	70	20	BDID	
Cc1oc2ccccc2c1CN1CCNC(=O)C1	160498315	VWKLOIXADZSGEW-UHFFFAOYSA-N	244.294	1.673	70	20	BDID	
Cc1nc2n(n1)C[C@H](N[C@H](C)C(C)(C)C)CC2	160512482	QTMRRXRSLMKQTB-MWLCHTKSSA-N	236.363	1.926	70	20	BDID	
CCc1nc(CN2[C@@H](C)CCC[C@@H]2CO)n[nH]1	159399190	KEQRIAQONOCEJD-VHSXEESVSA-N	238.335	1.102	70	20	BDID	
COCCN(C(=O)N1CCC(C)CC1)C1CC1	160410532	CULXQHXTKMSDJS-UHFFFAOYSA-N	240.347	1.949	70	20	BDID	
CCC[C@H](C)C(=O)NCC1=CCNCC1	160512108	APGDXLVHBJDXFX-JTQLQIEISA-N	210.321	1.459	70	20	BDID	
CC[C@]1(C)CCCN(C(=O)[C@H]2CSCN2)C1	160775619	SZHYYWMDDLPJAS-ZYHUDNBSSA-N	242.388	1.688	70	20	BDID	
NC1(CNC(=O)COCC2CC2)CCCCC1	159755953	ZIHCCAGBHDSJFH-UHFFFAOYSA-N	240.347	1.191	70	20	BDID	
CCC[C@H](N)C(=O)N1C[C@H](C)C[C@@H](C)C1	217826268	GHBDDKJIUFNLDB-MXWKQRLJSA-N	212.337	1.618	70	20	BDID	
COC[C@H](C)OCCCCS(=O)(=O)Cl	112155586	IACXVZPHBJGZLS-QMMMGPOBSA-N	244.740	1.387	70	20	BDID	
C/C=C/C=C\C(=O)N[C@@H](C)C(=O)OCC	217828865	TTZOGGZIWPUMHU-HFCJTVHMSA-N	211.261	1.187	70	20	BDID	
N[C@H]1CCC[C@H](NC(=O)c2ccsc2)C1	161340502	XLXHYJXGSWUNAC-UWVGGRQHSA-N	224.329	1.748	70	20	BDID	
C[C@@H]1CN(CCS(=O)(=O)F)c2ccccc21	883954352	KDCBZKURRCONGU-SECBINFHSA-N	243.303	1.909	70	20	BDID	
Cc1cc(CN2CC[C@H](N)[C@@H](C)C2)no1	217183311	SZHYJVZZKDYQGP-KWQFWETISA-N	209.293	1.152	70	20	BDID	
COCC(C)(C)C(=O)N(C)Cc1nccn1C	160155662	OUJVNLYVOUJJOA-UHFFFAOYSA-N	239.319	1.051	70	20	BDID	
C[C@@H](CNC(=O)NC1(C)CCC1)N(C)C1CC1	160812912	AYVXLFVIAXKXOJ-JTQLQIEISA-N	239.363	1.711	70	20	BDID	
Cc1noc(C)c1[C@H](C)CC(=O)N[C@@H](C)CO	160886704	ZKMUZVLIJKFUQI-SFYZADRCSA-N	240.303	1.282	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(=O)n(C)c1	159757536	VJFJIMSOWSAJOA-PWSUYJOCSA-N	248.326	1.694	70	20	BDID	
CC(C)CC(=O)NC[C@]1(C)CCCNC1	159965913	PHGPYEUQTBEHQA-GFCCVEGCSA-N	212.337	1.538	70	20	BDID	
C[C@H]1C[C@H]1c1ccc(CN[C@H](C)C(N)=O)o1	217698614	OGFDCEAOTQJVTE-QXFUBDJGSA-N	222.288	1.366	70	20	BDID	
O=C(Nc1ccc(S(=O)(=O)F)cc1)C1CC1	185110457	XHPNVQCJSZUTRU-UHFFFAOYSA-N	243.259	1.693	70	20	BDID	
C[C@H]1CCCN1C(=O)[C@]1(C)CCCCN1	159578304	AOUPGGFZFMZULA-JQWIXIFHSA-N	210.321	1.530	70	20	BDID	
CC[C@@H](CO)N[C@@H](C)c1cscn1	161132795	KUUNLJTYUBITKI-YUMQZZPRSA-N	200.307	1.565	70	20	BDID	
CC(C)CNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1347809427	JLRAGNGSWUYDEI-UHFFFAOYSA-N	248.279	1.059	70	20	BDID	
CCC[C@H]1CNCCN1CCCCOC	159593702	DWWZBMHPDSGVKF-LBPRGKRZSA-N	214.353	1.487	70	20	BDID	
COC[C@H](N[C@@H]1CCC[C@H](N(C)C)C1)C1CC1	161142247	RCPNUVYNUGJKRI-RDBSUJKOSA-N	240.391	1.874	70	20	BDID	
Cc1nccn1CCCN1CCC[C@@H](CO)C1	161270179	CAYXBSSAWXMHBI-CYBMUJFWSA-N	237.347	1.286	70	20	BDID	
CC[C@@H](COC)NCCN(C)[C@H](C)CC	160143059	IWYNZADUGIKWQQ-NEPJUHHUSA-N	216.369	1.731	70	20	BDID	
CCCC[C@@H](Sc1nnc(C)[nH]1)C(=O)OC	160592814	HTHBRAYKQSUSKA-MRVPVSSYSA-N	243.332	1.937	70	20	BDID	
COC[C@H](C)NC(=S)N1CC[C@@H](C)[C@H](C)C1	160870246	XNEHOEMBANQVMP-MXWKQRLJSA-N	244.404	1.874	70	20	BDID	
Cc1cccc(C(=O)NC[C@H]2CCOC2)c1F	161479155	WSMCMGQQYMREND-SNVBAGLBSA-N	237.274	1.900	70	20	BDID	
CCOCc1ccc(S(=O)(=O)Cl)o1	521400065	XXMOGZLTZVZMPJ-UHFFFAOYSA-N	224.665	1.744	70	20	BDID	
CNCC(=O)N1CC[C@H](c2ccccc2)[C@H]1C	161420314	WDFPIPTWXDWCKJ-YPMHNXCESA-N	232.327	1.610	70	20	BDID	
CCC(N)(CC)CNC(=O)CCOCC(C)C	160436027	MQSAMGPKMGMMEH-UHFFFAOYSA-N	244.379	1.683	70	20	BDID	
CC(C)(CN)C(=O)NC[C@@]1(C)CCCC[C@H]1O	160841180	QFLOTMGHOCXVIK-ZWNOBZJWSA-N	242.363	1.029	70	20	BDID	
CS[C@@H](C)C(=O)N(C)Cc1cccn1C	160870129	IJUAQCKGAIQWEM-VIFPVBQESA-N	226.345	1.735	70	20	BDID	
Cc1ccc(-c2nnc(NC(=O)C3CC3)[nH]2)o1	160381210	ISAGTDONJMGXRH-UHFFFAOYSA-N	232.243	1.722	70	20	BDID	
O=S(=O)(Cl)Cc1cnc(Cl)cn1	103595516	SWDRVAPMTGDHDH-UHFFFAOYSA-N	227.072	1.199	70	20	BDID	
O=C1OC[C@H](CF)N1c1nc(F)ncc1F	218314846	CQLZKVPSZCGDCX-BYPYZUCNSA-N	233.149	1.050	70	20	BDID	
Cc1cc(C[C@H](C)NC(=O)[C@@H]2C[C@@H]2C2CC2)n[nH]1	161309070	XNLJSDFJRYMHGD-ZEGGKSINSA-N	247.342	1.811	70	20	BDID	
CC[C@@H](C)N(C)CCN[C@@H]1CCN(C)C[C@@H]1C	160095940	PDRUZIFOMQHFAQ-BFHYXJOUSA-N	241.423	1.647	70	20	BDID	
CC[C@H](C)N(C)C(=O)C(=O)Nc1nocc1C	160633150	DDJJFUWNQLYDGX-QMMMGPOBSA-N	239.275	1.178	70	20	BDID	
CN(CCn1ccnc1)C[C@@H]1CCCCO1	161448674	NRMXFTCAIJVBMD-LBPRGKRZSA-N	223.320	1.384	70	20	BDID	
CC(C)CS(=O)(=O)N1[C@H]2C=CC[C@H]1CC2	218756244	OBSVOUWUUDYSSY-QWRGUYRKSA-N	229.345	1.765	70	20	BDID	
CS[C@@H](C)CNC(=O)c1cncc(O)c1	159532186	IHMLELFSCILZSS-ZETCQYMHSA-N	226.301	1.269	70	20	BDID	
C[C@H]1NCCC[C@H]1NC(=O)c1cccs1	160538764	OQQORTSRSMBYTO-RKDXNWHRSA-N	224.329	1.618	70	20	BDID	
Cc1cnccc1CNCCCCCO	160607559	HJFCZSIHYYQVCD-UHFFFAOYSA-N	208.305	1.642	70	20	BDID	
CON(C)C(=O)[C@@H]1C[C@H]1c1ccc(N(C)C)cc1	218116222	FNGIBVIHAMIYLX-QWHCGFSZSA-N	248.326	1.876	70	20	BDID	
C[C@H]1CC[C@H](C)N(S(=O)(=O)Cl)C1	114641577	SYJDOIGIKCDIEF-BQBZGAKWSA-N	211.714	1.590	70	20	BDID	
C[C@@H]1OCC[C@H]1SCCn1ccnc1	160332236	NYKSXYMIMIXDAY-VHSXEESVSA-N	212.318	1.794	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)CCC1CC1	160628785	SIGVPDUNJSKPCM-VIFPVBQESA-N	227.304	1.635	70	20	BDID	
CCn1cc(C(=O)NC[C@H](O)C(C)(C)C)cn1	159639121	ODEQTNWVJOOPPK-JTQLQIEISA-N	239.319	1.040	70	20	BDID	
CSCCCCC(=O)N1CCC[C@H](O)C1	159593368	ABCJZCGHYSLQJG-JTQLQIEISA-N	231.361	1.503	70	20	BDID	
COc1cccc(CN2CC[C@H](O)[C@H](C)C2)n1	159442203	QVRXHUYZAQXFME-PWSUYJOCSA-N	236.315	1.293	70	20	BDID	
Cc1cccc(F)c1NC(=O)C[C@H](C)N	160325584	XEGRBXPRNQCWGP-QMMMGPOBSA-N	210.252	1.810	70	20	BDID	
CC(=O)c1ccc(S(=O)(=O)Cl)s1	106961841	OWRPOUMAKVACLV-UHFFFAOYSA-N	224.690	1.878	70	20	BDID	
O=C(NC[C@@H]1CCOC1)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	160847229	HCIABBLSLMSYEH-KKJSVHSVSA-N	235.327	1.431	70	20	BDID	
CNCCN(C)C(=O)/C=C\c1ccc(OC)cc1	216701560	PPTPUEBJADWTDA-TWGQIWQCSA-N	248.326	1.386	70	20	BDID	
CCCCNC(=S)N[C@@H]1CCOC1	159582790	VINIZSGSWKLSNN-MRVPVSSYSA-N	202.323	1.040	70	20	BDID	
CCN1CCCC[C@@H]1CN[C@@H](C)COC	161211487	WYEOCKHXJNAFIQ-NWDGAFQWSA-N	214.353	1.485	70	20	BDID	
COCCNC(=S)NC1(C)CCC1	159965514	OQMMTQNXUCJKCH-UHFFFAOYSA-N	202.323	1.040	70	20	BDID	
Cc1ccc(CN(C)S(=O)(=O)F)cc1	253424211	BWTDCZSEFWIDCQ-UHFFFAOYSA-N	217.265	1.641	70	20	BDID	
COCCCCN1CC[C@H](CCN)C1	160037782	ZJENDTGDNCWFTD-NSHDSACASA-N	200.326	1.084	70	20	BDID	
C[C@H](NCc1nccn1C)c1cscn1	161184190	XMYFMXWLLWSKSX-QMMMGPOBSA-N	222.317	1.727	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1cccn1C	160220139	VDVXMFLLUOUKLW-VIFPVBQESA-N	238.287	1.097	70	20	BDID	
CCCOCC(=O)N(C)Cc1cccn1C	160553733	RWYJHIGVOXHHRE-UHFFFAOYSA-N	224.304	1.410	70	20	BDID	
CO[C@H](C)C(=O)NCCCC(F)(F)F	160795768	HPEVNUQUIRYNGK-ZCFIWIBFSA-N	213.199	1.480	70	20	BDID	
COCCCCSCCN1CCOCC1	159807037	VONXIPLEWLZPGD-UHFFFAOYSA-N	233.377	1.478	70	20	BDID	
NC1(CNC(=O)CCC2CC2)CCCCC1	159477194	GEJPSZRCAJLHIO-UHFFFAOYSA-N	224.348	1.954	70	20	BDID	
CS[C@@H](C)CNC(=O)c1ncccc1O	159531041	OHGFLFPFZVXLCZ-ZETCQYMHSA-N	226.301	1.269	70	20	BDID	
C[C@H](N[C@@H]1CCCNC1=O)c1cscn1	161179485	WWNVUNVUBACTRX-JGVFFNPUSA-N	225.317	1.072	70	20	BDID	
Cc1ccc(CS(=O)(=O)Cl)cc1[N+](=O)[O-]	88251175	RBBYAZDDVVVBKZ-UHFFFAOYSA-N	249.675	1.972	70	20	BDID	
Cc1ccnc(NCCCC(=O)OC(C)C)n1	160249764	GUKUSGWLXLWPSH-UHFFFAOYSA-N	237.303	1.929	70	20	BDID	
CN(CCO)Cc1ccc(Cl)cn1	159452236	UWFIXNMESXFOQN-UHFFFAOYSA-N	200.669	1.159	70	20	BDID	
CON(C)C(=O)c1ccc2c(c1)OC(F)(F)O2	218670842	BNCOCGYRMMSFJY-UHFFFAOYSA-N	245.181	1.642	70	20	BDID	
CC[C@H](O)[C@H]1CCCCN1CCn1ccnc1	159842283	YYBHZIBZWILUFQ-OLZOCXBDSA-N	237.347	1.509	70	20	BDID	
CC1(C)C[C@H]1CNc1ccc(C(N)=O)nn1	218054011	LUOZGKBZINTBPH-ZETCQYMHSA-N	220.276	1.034	70	20	BDID	
COCC(=O)N(C)CCOCc1ccccc1	159381567	XLABHAFDYZDEME-UHFFFAOYSA-N	237.299	1.308	70	20	BDID	
CCC[C@H](C)CC(=O)NCC(C)(C)N	160029848	SBVBNCYJROJRMN-VIFPVBQESA-N	200.326	1.666	70	20	BDID	
CC1=CCN(C(=O)c2cncc(O)c2)CC1	160224795	UGBMCSPXZSQCAP-UHFFFAOYSA-N	218.256	1.579	70	20	BDID	
CCCCO[C@@H](C)C(=O)N(C)[C@@H](C)CO	160505146	BSWJVJXRDSOTOA-UWVGGRQHSA-N	217.309	1.031	70	20	BDID	
CC[C@@H](C)OCC(=O)N[C@@H](CO)CC(C)C	160889829	SNVLFDNSWIDNPN-GHMZBOCLSA-N	231.336	1.325	70	20	BDID	
C[C@]1(C(=O)NCC(F)(F)F)CCCCN1	159568226	RKCVPWFTSUUWGM-MRVPVSSYSA-N	224.226	1.197	70	20	BDID	
Cc1ccc(OS(C)(=O)=O)cc1Cl	218232205	YHHSXDGIJDJDPT-UHFFFAOYSA-N	220.677	1.987	70	20	BDID	
CCN(CC)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1	217288600	WWEXFFMYTPUATH-SNVBAGLBSA-N	241.335	1.047	70	20	BDID	
O=C(/C=C\c1cccs1)NCc1ncc[nH]1	217000106	AFWKPJOEESGFSR-ARJAWSKDSA-N	233.296	1.801	70	20	BDID	
CCNCCNCc1cc(F)cc(F)c1	161313593	HQVRTDZFFGDOMH-UHFFFAOYSA-N	214.259	1.664	70	20	BDID	
C[C@@H]1CCN(S(=O)(=O)Cl)C[C@@H]1C	135266012	FPNGBLICUGPTMO-RQJHMYQMSA-N	211.714	1.448	70	20	BDID	
C[C@@H](O)CNCC(F)(F)c1ccccc1	161168379	HWBDBWFRAAXHSJ-SECBINFHSA-N	215.243	1.749	70	20	BDID	
CC1(C)C(CNC(=O)N2CCOCC2)C1(C)C	160670547	QQAJQWSBYPQNNE-UHFFFAOYSA-N	240.347	1.710	70	20	BDID	
Cc1cc(C(=O)N[C@H]2CCC[C@H]3OCC[C@H]23)[nH]n1	159811821	NPBIBJBCLZCZCY-JFGNBEQYSA-N	249.314	1.406	70	20	BDID	
O=S(=O)(Cl)CCCOC1CCC1	112389722	FJSPMEPAJKYZGN-UHFFFAOYSA-N	212.698	1.514	70	20	BDID	
CC(C)C[C@H]1CCN(C(=O)[C@H]2CCCNC2)C1	159612621	UUXTUFFNNSQCCL-OLZOCXBDSA-N	238.375	1.881	70	20	BDID	
COC[C@@H](NCCC(C)(C)O)c1ccco1	159668766	HKSBAMUNIKZWCH-SNVBAGLBSA-N	227.304	1.718	70	20	BDID	
CC[C@H](C)C(=O)NC[C@@]1(C)CCCNC1	159958379	UXZFRIZLUOTPFN-JQWIXIFHSA-N	212.337	1.538	70	20	BDID	
Cc1ccoc1CN1C[C@@H]2CNC[C@@H]2C1	161311739	OBPMRRLTESBHGY-PHIMTYICSA-N	206.289	1.239	70	20	BDID	
CNCC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C	161420447	WDFPIPTWXDWCKJ-AAEUAGOBSA-N	232.327	1.610	70	20	BDID	
CN1CCCC[C@@H]1CCS(=O)(=O)Cl	234315694	DJMBYSZAFDWUJJ-MRVPVSSYSA-N	225.741	1.429	70	20	BDID	
CCO[C@@H](C)C(=O)Nc1ccc(OC)c(N)c1	161325891	WLZNZMCJGACAGZ-QMMMGPOBSA-N	238.287	1.641	70	20	BDID	
CCC[C@H](O)CNc1cc(NC)ncn1	218557355	BGEOMEJUCKWCTO-QMMMGPOBSA-N	210.281	1.091	70	20	BDID	
CCC[C@H](O)CN[C@H]1CCO[C@@H](CC)C1	217721588	QIFZJPIVVJZSAJ-SRVKXCTJSA-N	215.337	1.695	70	20	BDID	
CC/C=C(/C)C(=O)N(C)CCC(=O)OCC	217377224	NLSAMHNHISLWSW-YFHOEESVSA-N	227.304	1.754	70	20	BDID	
CCN(C)C(=O)N[C@H]1CCN(C)[C@@H](C)C1	218002520	NOAKVFOXQRQROA-UWVGGRQHSA-N	213.325	1.130	70	20	BDID	
Cc1cnccc1CN[C@@H]1CCC[C@H]1O	160609144	WQEKUGFLKNKONE-VXGBXAGGSA-N	206.289	1.393	70	20	BDID	
CCN(C)CCNC(=O)[C@@H](C)c1cccs1	160149045	JXNWITZYVQTYFR-JTQLQIEISA-N	240.372	1.920	70	20	BDID	
CN(Cc1cccn1C)C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	160490185	XXPHIXCGUACVQQ-UPJWGTAASA-N	248.326	1.551	70	20	BDID	
CC(C)NCCC(=O)N1CCC2(CCC2)C1	160621498	HNRDEMNTHFHLBG-UHFFFAOYSA-N	224.348	1.777	70	20	BDID	
CCn1ccnc1CN1C[C@@H](C)OC[C@@H]1C	160767652	GZULAFXKKGNMKF-WDEREUQCSA-N	223.320	1.512	70	20	BDID	
CCN1CCC[C@H]1CNC(=O)[C@@H]1CCCCO1	161084359	DQCDOLISRWQCRK-RYUDHWBXSA-N	240.347	1.156	70	20	BDID	
CC[C@H](C)N(C)C(=O)N[C@H]1CCOC1	159545559	YVMLQWWQXKHLJH-IUCAKERBSA-N	200.282	1.215	70	20	BDID	
CC(C)[C@@H](O)CN[C@@H](C)c1cscn1	161201471	FSEKWBUFJIBTAJ-WPRPVWTQSA-N	214.334	1.811	70	20	BDID	
CC[C@@H]1CN(C(=O)N2CCC(C)CC2)CCO1	160361661	IMUSGTXYFWRIAL-GFCCVEGCSA-N	240.347	1.949	70	20	BDID	
Cc1cnccc1CNC(=O)NC1CC1	160678894	BQWLOQKOPCTFOJ-UHFFFAOYSA-N	205.261	1.352	70	20	BDID	
C[C@@H](N)C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F	161020227	LUAMPLPTCPHPQA-MATHAZKKSA-N	240.253	1.284	70	20	BDID	
NC(=O)N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21	161047635	VHXBEAMQNFAJOU-GARJFASQSA-N	202.257	1.383	70	20	BDID	
CS[C@@H](C)CC(=O)NC[C@@H](C1CC1)N(C)C	160449095	HEKFTPYMTKUUAI-ONGXEEELSA-N	244.404	1.584	70	20	BDID	
CC1(C)C(CNC(=O)N[C@@H]2CCOC2)C1(C)C	160671238	PTSAHJVJEAPQPI-SECBINFHSA-N	240.347	1.757	70	20	BDID	
CN(Cc1ccncc1)C(=O)N[C@H]1CCOC1	159446591	FGDKZCGTXMCEOW-NSHDSACASA-N	235.287	1.012	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)c1cc[nH]n1	159758446	DUSRXKJYHPYCHS-DTWKUNHWSA-N	207.277	1.718	70	20	BDID	
CCCCCC(=O)N[C@@H]1CCC[C@H](N)C1	161394307	IJNSHAZLQTZAEH-WDEREUQCSA-N	212.337	1.953	70	20	BDID	
COCCOC(=O)c1cnccc1Cl	161407823	DSMWWUBWNBBCRI-UHFFFAOYSA-N	215.636	1.538	70	20	BDID	
CCOCCN(C)C(=S)NC(C)C	161486683	POMXBFWCLVDONR-UHFFFAOYSA-N	204.339	1.238	70	20	BDID	
CCC[C@@H](C)CC(=O)NCC[C@@H](O)COC	161397455	FBBCIPLDSZDGTF-GHMZBOCLSA-N	231.336	1.326	70	20	BDID	
C[C@H]1CCC[C@@H](C(=O)NC[C@@H]2CCN(C)C2)C1	161309573	QVYPOHXYNLHBPN-RWMBFGLXSA-N	238.375	1.881	70	20	BDID	
CN[C@@H]1CCN(C(=O)CCCc2ccccn2)C1	160493423	XRHXHKWMQQIZOE-CYBMUJFWSA-N	247.342	1.225	70	20	BDID	
CC[C@@H]1CN(C(=O)N[C@H]2CCOC2)CCS1	159449906	QCALRTFKKRFUSF-VHSXEESVSA-N	244.360	1.312	70	20	BDID	
CC[C@@H](C)OCC(=O)NC[C@H](C1CC1)N(C)C	159576923	NNSVDRRVGVFRQY-ZYHUDNBSSA-N	242.363	1.258	70	20	BDID	
CCOC(=O)CCCN(C)C[C@H]1CCC[C@@H]1O	159807875	YKKKWCJALZHIQK-NEPJUHHUSA-N	243.347	1.423	70	20	BDID	
Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)cn1	160599202	SVBFQMWIZLRPSL-BETUJISGSA-N	245.326	1.357	70	20	BDID	
CCc1ncnc(NCCn2ccnc2)c1F	217958029	BCGACLJWDIPGSG-UHFFFAOYSA-N	235.266	1.487	70	20	BDID	
C[C@@H]1CCCN1C(=O)[C@]1(C)CCCCN1	159578194	AOUPGGFZFMZULA-PWSUYJOCSA-N	210.321	1.530	70	20	BDID	
CCN(C)C(=O)N1CC[C@@H]2[C@H](CCCN2C)C1	160705811	CVSVATVNUUGVER-VXGBXAGGSA-N	239.363	1.474	70	20	BDID	
CSCCNC(=O)N[C@@H]1CCOC(C)(C)C1	161367104	JOXRIMFKUKOQEN-SECBINFHSA-N	246.376	1.606	70	20	BDID	
Cc1ccc2c(c1)C[C@@H](CS(=O)(=O)Cl)O2	117404746	BPNAHPOEAJBUDH-VIFPVBQESA-N	246.715	1.867	70	20	BDID	
Cn1cnc2cc(OS(=O)(=O)F)ccc21	1887503859	CTQULYBRAJCFMS-UHFFFAOYSA-N	230.220	1.166	70	20	BDID	
CCC1(C(=O)N2CC[C@H](NC)C2)CCC1	160589850	CNPOMGVQUWWYTG-JTQLQIEISA-N	210.321	1.387	70	20	BDID	
Cn1ncc(NC2(C)CCC2)c(Cl)c1=O	159977744	RJDFWNXRVMBKDL-UHFFFAOYSA-N	227.695	1.788	70	20	BDID	
CSCC[C@@H](C)NCc1cn(C)nc1C	160152525	QJLMUUPDKFHOII-SECBINFHSA-N	227.377	1.960	70	20	BDID	
CC[C@@H]1CC[C@H](C)N(S(=O)(=O)Cl)C1	306437782	KTTLSXZZYKOICY-JGVFFNPUSA-N	225.741	1.981	70	20	BDID	
CNC[C@@H]1CCCN1C(=O)c1[nH]c(C)cc1C	161294968	LTPORMBKZLVFAN-NSHDSACASA-N	235.331	1.456	70	20	BDID	
CC1(C)C[C@@H]1C(=O)NC[C@H]1CCN(C2CC2)C1	160137302	BDLNTQWUEGGQOA-ZYHUDNBSSA-N	236.359	1.633	70	20	BDID	
CC[C@H](C)N(C)CCNC(=O)NC1(C)CCC1	160582014	RUOWBMADLOOTKU-NSHDSACASA-N	241.379	1.959	70	20	BDID	
CC(=O)N1CCCC[C@@H]1C(=O)Nc1ccncc1	160555485	PGGXGHFAQKCWNF-GFCCVEGCSA-N	247.298	1.421	70	20	BDID	
CC[C@@H](COC)N[C@H]1CCCNCC1	160683773	WMGFIDACUKEPNE-QWRGUYRKSA-N	200.326	1.143	70	20	BDID	
CC(C)CCNC(=O)N1CCC[C@](C)(O)C1	159657685	TZIWWJZAVHNDDV-LBPRGKRZSA-N	228.336	1.589	70	20	BDID	
CC[C@@H](Nc1ccn(CCC(C)C)n1)C(N)=O	159925575	KDWQOCQVNACKJO-SNVBAGLBSA-N	238.335	1.605	70	20	BDID	
CCCN1CCN(c2nc(CC)ns2)CC1	218573884	HLWKGJNXGKSGEH-UHFFFAOYSA-N	240.376	1.633	70	20	BDID	
CC(C)(O)CNCc1cc(O)cc(F)c1	159605317	ZXRXPRYNQNWABA-UHFFFAOYSA-N	213.252	1.392	70	20	BDID	
Cc1cc(F)cc(C(=O)N[C@@H](C)CN)c1	159810430	LQELCUCLNPEGJW-QMMMGPOBSA-N	210.252	1.211	70	20	BDID	
C[C@@H](CC(=O)NC1CCOCC1)c1ccncc1	160154902	PGMARCFWPPRAEL-NSHDSACASA-N	248.326	1.870	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)CC	160372558	NGQMNKSGHLCXJP-IUCAKERBSA-N	215.293	1.490	70	20	BDID	
CN[C@H]1CCN(C(=O)CCC2CCC2)C1	160725996	XDWDKYADVXOPKS-NSHDSACASA-N	210.321	1.387	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1occc1C	160793892	KNEMZDLVAAKMLB-VIFPVBQESA-N	239.271	1.660	70	20	BDID	
CC(C)(CO)[C@H](CNC(N)=O)c1ccccc1	160972916	KPXHFQFVHHPIQB-LLVKDONJSA-N	236.315	1.457	70	20	BDID	
COCCCCN1C[C@H]2[C@@H](O)CC[C@H]2C1	159828266	XALSXZABGJAUQA-TUAOUCFPSA-N	213.321	1.116	70	20	BDID	
Cc1nccc(NC(=O)N[C@H](C)CO)c1Cl	159435956	UFRPIYIJRHJWSJ-ZCFIWIBFSA-N	243.694	1.546	70	20	BDID	
Cc1cc(NC(=O)C2CCCC2)c[nH]c1=O	159589523	ZKBFMGDUPUYPKJ-UHFFFAOYSA-N	220.272	1.812	70	20	BDID	
CC1CCN(C(=O)N2CCCO[C@@H](C)C2)CC1	160534869	NDSNHCODQPTKMH-LBPRGKRZSA-N	240.347	1.949	70	20	BDID	
Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@@H]3C)[nH]2)o1	160169888	KDTRSZRUEBYCTJ-POYBYMJQSA-N	246.270	1.968	70	20	BDID	
CCOCCC1(C(=O)NCCOC)CCC1	160550820	IEZDQZZSKHCSNL-UHFFFAOYSA-N	229.320	1.346	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1cccs1	160635043	CLXDQAPCXADVLM-MRVPVSSYSA-N	241.312	1.820	70	20	BDID	
CCN(CC(C)C)C(=O)[C@H]1CCn2ccnc2C1	159575062	WIEKUQRWWJFAGH-LBPRGKRZSA-N	249.358	1.950	70	20	BDID	
NC[C@H]1CCCN1C(=O)c1ccc(Cl)nc1	160368009	UYEWPEFVQHGMCP-SECBINFHSA-N	239.706	1.298	70	20	BDID	
CCCNC(=S)N[C@]1(C)CCOC1	160041212	VAWIQLUFWWUXQS-SECBINFHSA-N	202.323	1.040	70	20	BDID	
CC[C@]1(C)C[C@H](S(=O)(=O)Cl)CCO1	112132185	XRMCGKZZNKAATP-HTQZYQBOSA-N	226.725	1.903	70	20	BDID	
CCCN1CCCN(C(=O)[C@@H]2C[C@@H]2C)CC1	160388687	PTJBJJLWQVVOMF-NWDGAFQWSA-N	224.348	1.587	70	20	BDID	
CS[C@H](C)CC(=O)NCc1ccnc(C)n1	160545716	KFOVBJDXWGBAAR-MRVPVSSYSA-N	239.344	1.543	70	20	BDID	
CC(=O)Nc1nc(CS[C@@H](C)CO)cs1	160695729	FLRPBVHPIKLHPM-LURJTMIESA-N	246.357	1.716	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)SC	160799125	CDLWMMQQFRSFOH-HTQZYQBOSA-N	233.333	1.196	70	20	BDID	
COCc1ccc(C(=O)N2CCC[C@@H]2CN)cc1	160337031	CBYABDMHBCOPRM-CYBMUJFWSA-N	248.326	1.396	70	20	BDID	
CCN(CCCO)C(=O)C1[C@@H]2CCC[C@@H]12	160310657	XAUQTQRWIGPCPO-NXEZZACHSA-N	211.305	1.263	70	20	BDID	
CC(C)[C@@H](C)C(=O)N1CCC[C@](C)(O)C1	161027032	KCUQENFNFAOQAR-PWSUYJOCSA-N	213.321	1.652	70	20	BDID	
CCOCCCNC(=O)[C@@H]1CCCCO1	161012121	KFSDLGGPBGVASI-JTQLQIEISA-N	215.293	1.098	70	20	BDID	
Cc1cc(C(=O)N2CCOC[C@@H]2C2CC2)ncn1	161281118	PDAPVCOWSVRRCG-GFCCVEGCSA-N	247.298	1.036	70	20	BDID	
c1cncc(OCc2nc([C@@H]3CCCN3)no2)c1	217828931	JYHPLIJTCQJROI-JTQLQIEISA-N	246.270	1.468	70	20	BDID	
C[C@](F)(CS(=O)(=O)Cl)C1CC1	1537959156	ZLTVKWSBFZESOB-LURJTMIESA-N	200.662	1.693	70	20	BDID	
O=S(=O)(Cl)[C@@H]1CCCC[C@@H]1F	221501972	IAGUHAITTUUZQV-NTSWFWBYSA-N	200.662	1.836	70	20	BDID	
C[C@@H]1CCn2c(S(=O)(=O)Cl)cnc2C1	100468251	MLERAGYCQWHUTO-ZCFIWIBFSA-N	234.708	1.393	70	20	BDID	
CN(C)CC(=O)N[C@@H]1CCOC2(CCCC2)C1	160042929	RLDYUXCSBLOUIS-LLVKDONJSA-N	240.347	1.156	70	20	BDID	
O=C(Nc1cccc(OCCO)c1)c1ccco1	160003882	BEDKDFDKQUIQCD-UHFFFAOYSA-N	247.250	1.903	70	20	BDID	
CCN(CC)C(=O)N1CC[C@@H](N)C[C@@H]1C	160168150	WRRPTRZXNLHYMQ-VHSXEESVSA-N	213.325	1.260	70	20	BDID	
CC[C@@H](COC)N[C@@H]1CCCNCC1	160683512	WMGFIDACUKEPNE-WDEREUQCSA-N	200.326	1.143	70	20	BDID	
CCc1nc(CN(C)C[C@@H]2CCC[C@@H]2O)no1	159835311	BUCYMKZZMAPWLG-UWVGGRQHSA-N	239.319	1.225	70	20	BDID	
CCSCCN1CCC(OCCO)CC1	160286736	HYGNNXFSSVKHBR-UHFFFAOYSA-N	233.377	1.213	70	20	BDID	
O=S(=O)(F)CCn1cc(C2CCC2)cn1	883954075	XZBDTKWFDMRGBK-UHFFFAOYSA-N	232.280	1.450	70	20	BDID	
O=S(=O)(OCCOC1CCC1)C(F)(F)F	306940057	BKNAEHBJQXRGIC-UHFFFAOYSA-N	248.222	1.422	70	20	BDID	
C[C@H](N)C(=O)NCc1ccccc1OC1CCC1	161198748	VJAZMWOVWNNMKV-JTQLQIEISA-N	248.326	1.581	70	20	BDID	
CC[C@@]1(C)CCCN(C(=O)[C@@H]2CCCN2)C1	160777265	GDSNFANMCVRXPN-AAEUAGOBSA-N	224.348	1.777	70	20	BDID	
C[C@@H]1CCCCN1C(=O)[C@@H]1CCCCO1	159628224	LHJKSYYWOHOGBQ-MNOVXSKESA-N	211.305	1.957	70	20	BDID	
CCCCOCCN(C)C[C@@H]1CCC[C@@H]1O	159795092	KISXVMGOXCFJHH-STQMWFEESA-N	229.364	1.896	70	20	BDID	
COCC[C@H](C)Nc1ncccc1OC	159466993	JVDOJMSLMVKNJL-VIFPVBQESA-N	210.277	1.927	70	20	BDID	
c1cn(CCn2cnc3c2CCCC3)cn1	160722834	KYJRWHFWTZGIRU-UHFFFAOYSA-N	216.288	1.659	70	20	BDID	
C[C@H](N)C(=O)N1CCc2cc(F)ccc2[C@H]1C	161426122	WCGFVPCEXMXMIS-DTWKUNHWSA-N	236.290	1.619	70	20	BDID	
COCC(C)(C)C(=O)N[C@H](CO)CC(C)C	160711441	WZVWJPDGCSSCTC-JTQLQIEISA-N	231.336	1.182	70	20	BDID	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)CCN	160889655	KCLQCMDUKQWTLT-GHMZBOCLSA-N	220.316	1.644	70	20	BDID	
CC(C)CCN(C)C(=O)[C@H]1CCn2ccnc2C1	159573955	VETFMNJBIOOSQY-LBPRGKRZSA-N	249.358	1.950	70	20	BDID	
C[C@@H]1Cc2ccccc2N1CCS(=O)(=O)F	822465351	WWZHQNMVMHRFAL-SECBINFHSA-N	243.303	1.737	70	20	BDID	
CCC(C)(CC)C(=O)NC[C@H](C)CO	159437014	MJWLRVDGCMADCJ-VIFPVBQESA-N	201.310	1.557	70	20	BDID	
CCO[C@H]1CCCN(CCn2ccnc2)C1	159841335	VOZCRQISVAZMCB-LBPRGKRZSA-N	223.320	1.384	70	20	BDID	
CCC[C@@H](N)C(=O)NC(C)(CC)CC	160040580	PZQNLGRBUNCKMB-SECBINFHSA-N	200.326	1.809	70	20	BDID	
CC[C@H](N)C(=O)N1CC[C@@H](CC(C)C)C1	159611534	GEMWEXNJILLBLG-QWRGUYRKSA-N	212.337	1.618	70	20	BDID	
CS[C@H](C)CNC(=O)COC(C)C	159470031	IDYQKJMUJLRYJP-MRVPVSSYSA-N	205.323	1.279	70	20	BDID	
C[C@H]1Cc2ccccc2[C@@H]1NC(=O)[C@@H](C)N	159881977	JZEDQGPXBHPLOZ-YGOYTEALSA-N	218.300	1.383	70	20	BDID	
CC[C@]1(C)C[C@H]1C(=O)Nc1ccn(C)n1	160180165	PGQYNNZMWXJZRR-GZMMTYOYSA-N	207.277	1.795	70	20	BDID	
CC(C)(C)OC(=O)NC[C@H](O)COCC1CC1	160708280	MIWGGYOUNHHAQF-JTQLQIEISA-N	245.319	1.299	70	20	BDID	
Cc1cccc(N(C)C(=O)C[C@@H]2COC(=O)C2)c1	161241687	ZWMMFUOVUVVKMX-NSHDSACASA-N	247.294	1.911	70	20	BDID	
CSCCN(C)C(=O)CCNC(C)C	160010870	WAHSLJANLMHRMD-UHFFFAOYSA-N	218.366	1.196	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H]1C[C@@]1(C)CC	160810837	HTLRHCBDHOGVHO-OUJBWJOFSA-N	241.331	1.881	70	20	BDID	
COC(C)(C)C[C@@H](C)NC(=O)C[C@@H]1CCCN1	160969401	JRAPWXXVZNAIBW-MNOVXSKESA-N	242.363	1.448	70	20	BDID	
C[C@H](NCc1ccc(N(C)C)nc1)[C@H]1CCCO1	159988711	QIZVJOIYTHSGNR-WCQYABFASA-N	249.358	1.805	70	20	BDID	
NC(=O)[C@@H]1CCCN1Cc1c(F)cccc1F	160370178	SKIQDRDWCGODBR-NSHDSACASA-N	240.253	1.415	70	20	BDID	
CN(Cc1ccncc1)C(=O)[C@H]1CCCCO1	161190038	ISMLLOBQGLFYRW-GFCCVEGCSA-N	234.299	1.609	70	20	BDID	
CC[C@@H](NC1CCN(C)CC1)c1cnn(C)c1	161420458	SJNFQBZWHYJQQQ-CYBMUJFWSA-N	236.363	1.555	70	20	BDID	
O=C(NCCc1ccco1)[C@@H]1CCCCO1	160025761	FNNATCPAPAIFKE-NSHDSACASA-N	223.272	1.507	70	20	BDID	
C[C@@H](Nc1ncnc2nc[nH]c12)C1CCC1	160061616	OPQMCAJNWCOERF-SSDOTTSWSA-N	217.276	1.953	70	20	BDID	
CC1(C)C[C@@H](Nc2ncnc3nc[nH]c23)CCO1	160707135	IGWHNQMISBBWEB-QMMMGPOBSA-N	247.302	1.722	70	20	BDID	
CCNC(=O)CN(CC)C(=O)[C@H]1C[C@@]1(C)CC	160913907	XTHFKSMGJKEHEA-ZWNOBZJWSA-N	240.347	1.407	70	20	BDID	
CN(CC(C)(C)C)C(=O)N[C@@H]1CCOC1	159443407	REKGHZANJYBFEC-SECBINFHSA-N	214.309	1.463	70	20	BDID	
C1=CCC(N[C@@H]2CCN3CCC[C@H]3C2)C1	159988146	NJQDJLUCHWGFTA-OLZOCXBDSA-N	206.333	1.921	70	20	BDID	
CC[C@](C)(CS(=O)(=O)Cl)OC	257879238	RUNDJRBAAWGQSZ-ZCFIWIBFSA-N	200.687	1.370	70	20	BDID	
Cc1noc(C)c1C(=O)NC1CC=CC1	161074486	MSXLTWZGIHFHPY-UHFFFAOYSA-N	206.245	1.740	70	20	BDID	
C1CO[C@H](CSCCN2CCOCC2)C1	160041035	ADXPZDIDUSQXND-NSHDSACASA-N	231.361	1.231	70	20	BDID	
C[C@@H](N)C(=O)N1CCO[C@@](C)(c2ccccc2)C1	159645720	QXPJIXXKEQZAQL-BXUZGUMPSA-N	248.326	1.108	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CC(=O)N(C)C1	159733597	SANOJIZGUIDVOY-GMTAPVOTSA-N	238.331	1.160	70	20	BDID	
CCc1ccc([C@@H](C)CC(=O)NCCO)cc1	159388060	HYTWOUMBQSWPKU-NSHDSACASA-N	235.327	1.851	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1ccon1	159591292	JPUGJPBGHAULOQ-BDAKNGLRSA-N	208.261	1.983	70	20	BDID	
CC(C)C[C@H](O)CNCc1nccs1	218167792	WKRZBAVCXGUSNX-VIFPVBQESA-N	214.334	1.640	70	20	BDID	
COC(=O)CN(CCCOC(C)C)C(C)C	159602748	GWPLENFZUAJSCS-UHFFFAOYSA-N	231.336	1.685	70	20	BDID	
COCC(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C	218122818	RVDYBWGFBLEKBA-GBIKHYSHSA-N	225.332	1.964	70	20	BDID	
CCOC(=O)CNC(=O)[C@H]1CCC[C@@H](C)C1	161061050	XPIGUOLKCIAZLW-ZJUUUORDSA-N	227.304	1.492	70	20	BDID	
CCCC[C@@H](C(=O)OC)N(C)CC(C)(C)O	160813430	MQGWHRCPNXQRIU-JTQLQIEISA-N	231.336	1.421	70	20	BDID	
CC[C@H](C)C[C@@H](C)NC(=O)N[C@@H]1CCOC1	159415932	NOPHZKCBQHIINU-HBNTYKKESA-N	228.336	1.899	70	20	BDID	
CC(C)CC(=O)NCCC(=O)NCC1CC1	159644650	UKIPVUCDDNOWCS-UHFFFAOYSA-N	226.320	1.065	70	20	BDID	
C[C@H]1c2ccccc2CN1S(=O)(=O)F	1887578979	LAWHRIPIECZUPT-ZETCQYMHSA-N	215.249	1.778	70	20	BDID	
CSC[C@@](C)(O)CNCc1nccs1	217846091	WZJLXCIRGQGDGX-VIFPVBQESA-N	232.374	1.347	70	20	BDID	
CNCCN(C)C(=O)/C=C\c1cccs1	216702202	ZAMPLPMDJGFCBK-WAYWQWQTSA-N	224.329	1.439	70	20	BDID	
CC(C)[C@@H](N)CNC(=O)/C=C\c1cccs1	216997114	MZSBTKUJNLBEHE-GZTOBOFZSA-N	238.356	1.861	70	20	BDID	
C[C@@]1(NC(=O)c2cccc(F)n2)CCOC1	160754629	NLQPHSFFQGLVCE-LLVKDONJSA-N	224.235	1.130	70	20	BDID	
COCCNC(=S)N1CC[C@@H](C)[C@@H](C)C1	160870554	CHUBTBFYQWYKQL-ZJUUUORDSA-N	230.377	1.485	70	20	BDID	
C[C@H](NCC1(O)CCC1)c1cscn1	161194073	LHTAFLGPAWHCTI-QMMMGPOBSA-N	212.318	1.709	70	20	BDID	
CCCNCCNCc1cccc(F)c1	161358231	SSIUUVKMBNLJOA-UHFFFAOYSA-N	210.296	1.915	70	20	BDID	
CC(=O)Nc1ccccc1N(C)S(C)(=O)=O	161396363	WUBSLIDFNLUBBA-UHFFFAOYSA-N	242.300	1.041	70	20	BDID	
CC[C@H](NC(=O)c1c[nH]nn1)c1c(C)noc1C	160348520	SIKGFPKSIAQAAR-QMMMGPOBSA-N	249.274	1.291	70	20	BDID	
O=C(NCCCF)NCc1ncccc1F	160736026	XKLQCYBFBMMKNA-UHFFFAOYSA-N	229.230	1.380	70	20	BDID	
C1CC[C@@H](CSCCN2CCOCC2)OC1	159839399	RMRHVKXPJOIRGT-LBPRGKRZSA-N	245.388	1.621	70	20	BDID	
C[C@@H](CO)Nc1ccnc(Cc2ccccc2)n1	159519731	OXSBFGQDOLUBRL-NSHDSACASA-N	243.310	1.860	70	20	BDID	
CS[C@@H](C)CNC(=O)N1CCCCC1	159491056	VETCTYMPICGFCP-VIFPVBQESA-N	216.350	1.933	70	20	BDID	
Cc1occc1-c1noc([C@H](C)CN)n1	160394915	RSTOHXQGIHNFIX-ZCFIWIBFSA-N	207.233	1.700	70	20	BDID	
CC[C@H](NCCCO)c1ccc(F)cn1	161312141	KLPRLGMHNDNSIM-JTQLQIEISA-N	212.268	1.644	70	20	BDID	
CCOCCOC(=O)c1ccncc1F	161433799	RDIUKIGICALJAC-UHFFFAOYSA-N	213.208	1.414	70	20	BDID	
O=C(CCl)Nc1ccccc1-c1nnn[nH]1	95236900	FDUVPHPBIRMYFG-UHFFFAOYSA-N	237.650	1.044	70	20	BDID	
O=C(NCC(F)(F)F)c1ccncc1F	161387158	QZNVNECJRFMIIC-UHFFFAOYSA-N	222.141	1.513	70	20	BDID	
COCCCCN1CC[C@@H]([C@@H](C)N)C1	159456095	CHYNVRUJSFVIFB-GHMZBOCLSA-N	200.326	1.082	70	20	BDID	
CC[C@@H](CCO)NS(=O)(=O)CC(C)(C)C	218191980	VWXTYDXTWAFPHX-VIFPVBQESA-N	237.365	1.113	70	20	BDID	
CC[C@H](C)OCCS(=O)(=O)Cl	112356866	GFIIYOHKZJQHMM-LURJTMIESA-N	200.687	1.370	70	20	BDID	
Cc1nn(C)cc1CN[C@@H]1CCCSC1	160162690	VQULZOOEYHFNHP-LLVKDONJSA-N	225.361	1.714	70	20	BDID	
CC(C)(CCO)NC(=O)[C@H]1CC=CCC1	160782008	XHCKCTOWBWALRD-JTQLQIEISA-N	211.305	1.620	70	20	BDID	
COC(C)(C)CNC(=O)Nc1ccc(C)nc1	161322059	HCDPBRPECKLREI-UHFFFAOYSA-N	237.303	1.937	70	20	BDID	
CCc1noc(C)c1CSCCC(N)=O	160023338	UFFYBPNVQADDNK-UHFFFAOYSA-N	228.317	1.654	70	20	BDID	
C[C@@H](CC1CC1)NC(=O)N[C@@H]1CCOC1	159405471	VZUSNPBFAIKGGY-WCBMZHEXSA-N	212.293	1.263	70	20	BDID	
CCC[C@@H](N)C(=O)N1CCOC[C@@H]1CC(C)C	159630566	OADUACCBNHAFGF-NWDGAFQWSA-N	242.363	1.387	70	20	BDID	
COC(=O)[C@@H]1C[C@@H]1C(=O)NCC1(C2CC2)CC1	159730781	DKUXKEOUCMLGFS-VHSXEESVSA-N	237.299	1.102	70	20	BDID	
O=C(NCCc1ccccc1F)C(F)F	217863164	CRSZYUMZFBMSRD-UHFFFAOYSA-N	217.190	1.750	70	20	BDID	
NCC(=O)NCc1ccccc1OCC1CC1	160099552	LDWIKLYRQWLZMR-UHFFFAOYSA-N	234.299	1.050	70	20	BDID	
CCCN1CCCN(C(=O)[C@H]2C[C@@H]2C)CC1	160388824	PTJBJJLWQVVOMF-RYUDHWBXSA-N	224.348	1.587	70	20	BDID	
CC(C)OCCCSCCN1CCOCC1	159768859	FAKGFSRLENDZAP-UHFFFAOYSA-N	247.404	1.867	70	20	BDID	
CCCCSCCC(=O)N1CCC(O)CC1	159594953	NKQJDVWEYJVYAG-UHFFFAOYSA-N	245.388	1.893	70	20	BDID	
CC1CCC(CN2CCC[C@H]2C(N)=O)CC1	160375032	MFBOJFSUGDXNPC-MCIGGMRASA-N	224.348	1.762	70	20	BDID	
Cc1ccc(C(=O)N[C@H]2CCC[C@H](N)C2)cc1	160967255	JCTVDSJBAKKWTP-STQMWFEESA-N	232.327	1.995	70	20	BDID	
CCCCOCCN1CC[C@H](N)[C@@H](C)C1	218738716	JDFQWRCPTCOMSZ-RYUDHWBXSA-N	214.353	1.472	70	20	BDID	
CNCCc1nc(-c2ccoc2C)no1	160399973	GJZVZTZIZDIAHZ-UHFFFAOYSA-N	207.233	1.400	70	20	BDID	
CC(C)c1ncc(CN2CCNC(=O)C2)s1	160486306	BZJKVKNLWSMNQR-UHFFFAOYSA-N	239.344	1.198	70	20	BDID	
C[C@@H]1NCCC[C@H]1NC(=O)c1ccsc1	160542252	FFKLHCWXTAYQDV-WCBMZHEXSA-N	224.329	1.618	70	20	BDID	
Cc1ccoc1C(=O)NC(C)(C)CCO	160776418	UUWMAXQAYZVWNE-UHFFFAOYSA-N	211.261	1.479	70	20	BDID	
CC(C)(C)c1cc(C(=O)NC2(CO)CC2)no1	160180728	USZPVNALEXYNEG-UHFFFAOYSA-N	238.287	1.227	70	20	BDID	
CC[C@H](C)c1cc(C(=O)Nc2nnc[nH]2)on1	161025277	BCMLOKFBSBPSDM-LURJTMIESA-N	235.247	1.559	70	20	BDID	
C[C@@H](N)C(=O)NCCOC1CCCCCC1	160087436	PEEHOZXCHWLKJJ-SNVBAGLBSA-N	228.336	1.189	70	20	BDID	
CN(C(=O)c1cn[nH]c1)c1ccc2c(c1)OCO2	160102208	ZZMNTJXWMYUCMB-UHFFFAOYSA-N	245.238	1.415	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)CC1(O)CCCC1	160643008	VGXMKRPLJODLRQ-NSHDSACASA-N	243.347	1.205	70	20	BDID	
CC(C)(CCO)NC(=O)CC(F)(F)F	160770473	QICMIUHRSHKCAH-UHFFFAOYSA-N	213.199	1.216	70	20	BDID	
CC(C)OC1CCC(NC(=O)N(C)C)CC1	159459670	IRTSDZWKLHOBCB-UHFFFAOYSA-N	228.336	1.994	70	20	BDID	
CN(CC(=O)NC1CC1)OCc1ccccc1	159620387	KIFGBFIBVNKXLN-UHFFFAOYSA-N	234.299	1.329	70	20	BDID	
CNC(=O)CCN1CCC[C@@H]1c1cccc(C)n1	159870694	PMIPZCOZQNSCGN-CYBMUJFWSA-N	247.342	1.663	70	20	BDID	
CSC[C@@H](C)C(=O)NCCCC(C)(C)CO	160362894	ICZCRDKWMOVFBS-SNVBAGLBSA-N	247.404	1.900	70	20	BDID	
CC1(c2ccn(CCS(=O)(=O)F)n2)CC1	883953798	LIPFIEUNYFNIFO-UHFFFAOYSA-N	232.280	1.234	70	20	BDID	
Cc1nsc(NCC2(C)CCNCC2)n1	160011280	KHFLWJIXMSWQMC-UHFFFAOYSA-N	226.349	1.648	70	20	BDID	
CC(C)c1cc(=O)n(Cc2ccon2)cn1	160682055	QIBZODCXQBGXTI-UHFFFAOYSA-N	219.244	1.403	70	20	BDID	
Cc1ccc(CCNC(=O)NCCCO)cc1	217307825	HRRDIQBPPIAAGT-UHFFFAOYSA-N	236.315	1.219	70	20	BDID	
CC/C=C(\C)C(=O)N[C@@H]1CCCC[C@@H]1CN	216941120	UXMYVZOEOOZQTA-QEFZOKHDSA-N	224.348	1.976	70	20	BDID	
CSCC[C@@H](C)NC(=O)N[C@H]1CCOC1	159411984	BNFZPEJURIFBGY-BDAKNGLRSA-N	232.349	1.216	70	20	BDID	
CN(C)[C@@H](C(=O)NCC(C)(C)N)c1ccccc1	160022841	DRGVYPLFSREJGZ-GFCCVEGCSA-N	249.358	1.143	70	20	BDID	
COCCCCNC(=O)N[C@@H]1CCC[C@H]1OC	160380302	OTJRJPKTQIIWAG-GHMZBOCLSA-N	244.335	1.280	70	20	BDID	
C[C@@H](CO)CNC(=O)CCc1ccsc1	160491985	OBDYUNSENVJQLP-SECBINFHSA-N	227.329	1.425	70	20	BDID	
CCOCCC1(C(=O)N[C@@H](C)COC)CCC1	160650547	RKVRWPBARVHDKB-NSHDSACASA-N	243.347	1.734	70	20	BDID	
CCc1nnc([C@@H](C)N(C)C[C@H](O)C2CC2)o1	160739915	WFZSEUQFLJYEKJ-SCZZXKLOSA-N	239.319	1.396	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1cc(C)on1	160814861	NQFFOMBEYDPAAP-ZETCQYMHSA-N	240.259	1.055	70	20	BDID	
COCCCNC(=S)NC1(C)CCC1	159966460	QOQYFHNMEKEGMD-UHFFFAOYSA-N	216.350	1.430	70	20	BDID	
CN(CCCCCCO)C1CCNCC1	218585033	GGNVVJQBSCZKOH-UHFFFAOYSA-N	214.353	1.223	70	20	BDID	
CCOC(=O)[C@H](CC)C(=O)O[C@@H](C)CC	218479120	BKKVAPLCVHMLDM-IUCAKERBSA-N	216.277	1.917	70	20	BDID	
CC[C@@H]1CCCCN1C(=O)N[C@H]1CCOC1	159543500	QNWDSZBZOUMOGK-WDEREUQCSA-N	226.320	1.749	70	20	BDID	
COCC(C)(C)C(=O)N[C@@H](CO)CC(C)C	160711557	WZVWJPDGCSSCTC-SNVBAGLBSA-N	231.336	1.182	70	20	BDID	
C[C@@]1(C(=O)NCC2CCC2)CCCCN1	159567252	WBLDWNKOLFDZST-LBPRGKRZSA-N	210.321	1.435	70	20	BDID	
CC[C@H](O)[C@@H]1CCCCN1CCn1ccnc1	159842032	YYBHZIBZWILUFQ-STQMWFEESA-N	237.347	1.509	70	20	BDID	
C[C@H](O)CCN(C)CCCN1CCCCC1	161378342	ZXEIRNWCRVTDGG-ZDUSSCGKSA-N	228.380	1.565	70	20	BDID	
Cc1nccc(N[C@H](CO)CC(C)(C)C)n1	161412943	OJJSDGOGDUWHCH-JTQLQIEISA-N	223.320	1.994	70	20	BDID	
O=S(=O)(Cl)CCOCc1cccs1	112357057	PLPAQJPOUPMMDL-UHFFFAOYSA-N	240.733	1.833	70	20	BDID	
Cc1cc(CN2CC[C@H](N)C[C@H]2C)on1	218611066	NVJMGTXCHAFANL-ZJUUUORDSA-N	209.293	1.295	70	20	BDID	
CNCC(=O)N(C)CC(C)(C)c1ccc(C)cc1	161255955	JJYBHASMBHWERX-UHFFFAOYSA-N	248.370	1.950	70	20	BDID	
CCC[C@H](C)CC(=O)N1CC[C@H](NC)C1	160637883	BNSNMXPUYGIPOV-QWRGUYRKSA-N	212.337	1.633	70	20	BDID	
Cc1cccc(CN(C)C(=O)N[C@H]2CCOC2)n1	160700810	SAJIBCAVHLCWTG-LBPRGKRZSA-N	249.314	1.320	70	20	BDID	
O=C(NOCc1cccnc1)C1CCOCC1	160818546	HLJZJGHBWIUGTR-UHFFFAOYSA-N	236.271	1.056	70	20	BDID	
C/C=C/CS(=O)(=O)CCc1c(C)noc1C	159634606	HBFNKWYXBUXJKL-SNAWJCMRSA-N	243.328	1.825	70	20	BDID	
CC[C@H]1CCCN(Cc2nncn2C)C1	160782012	OYOCMZPVDRCPJA-JTQLQIEISA-N	208.309	1.437	70	20	BDID	
COCCOC1CCC(C(=O)OC)CC1	160501969	VBYGXZMSXRGMSC-UHFFFAOYSA-N	216.277	1.381	70	20	BDID	
NC1(CNC(=O)C2[C@@H]3CCC[C@@H]23)CCCCC1	159501284	ZUZJSRWEJILPLS-GHMZBOCLSA-N	236.359	1.810	70	20	BDID	
CCCC[C@H](CN)NC(=O)[C@@]1(C)CCCNC1	161284154	OYTYKJWAVHQRGU-YPMHNXCESA-N	241.379	1.010	70	20	BDID	
O=S(=O)(F)Oc1cccc2c1OCCO2	1887579011	DQIWYQRZHXDWTF-UHFFFAOYSA-N	234.204	1.051	70	20	BDID	
CC(C)(C)NC(=O)N1CC[C@H](CCN)C1	160005644	QRRAZABQYSUNRQ-VIFPVBQESA-N	213.325	1.165	70	20	BDID	
CCCCOCCN1CC[C@H](CCN)C1	160045822	QHQGLEFBBKZJOI-LBPRGKRZSA-N	214.353	1.474	70	20	BDID	
CCCCO[C@H](C)C(=O)N[C@@H]1CCC[C@H](N)C1	161297763	WECMMLZUXHZABK-GRYCIOLGSA-N	242.363	1.578	70	20	BDID	
C[C@@H]1CCC[C@H](NC(=O)N[C@@H]2CCOC2)C1	159387495	HSPNPJXJRFKIPA-OUAUKWLOSA-N	226.320	1.653	70	20	BDID	
CC(C)COCCCS(=O)(=O)Cl	112356575	FGTUUXLXWTVQKK-UHFFFAOYSA-N	214.714	1.618	70	20	BDID	
CCCNC(=O)CNC(=O)c1ccccc1CC	161262520	WCFGNPBKUFTNKY-UHFFFAOYSA-N	248.326	1.505	70	20	BDID	
C[C@@]1(CS(=O)(=O)Cl)CCCS1	307410495	GPTAJPFOGMCWDF-LURJTMIESA-N	214.739	1.841	70	20	BDID	
CCOCC(=O)N[C@@H](CC)c1c(C)noc1C	160004036	PQZHKGGXYWFTPX-JTQLQIEISA-N	240.303	1.895	70	20	BDID	
CS[C@H](C)CNC(=O)c1cn[nH]c1C	159463463	PVJABTOULZYLQU-ZCFIWIBFSA-N	213.306	1.199	70	20	BDID	
CCN(Cc1cccnc1)Cc1cnn(C)c1	161120675	YYCGTAUVRYSIKD-UHFFFAOYSA-N	230.315	1.837	70	20	BDID	
C[C@H](NCCCS(C)(=O)=O)c1cscn1	161185227	TUTRFZJIFDLUJG-QMMMGPOBSA-N	248.373	1.228	70	20	BDID	
C[C@@H]1CSCCN1C(=O)c1ccncc1F	161405430	QAUFZKGYGONPLQ-MRVPVSSYSA-N	240.303	1.798	70	20	BDID	
O=S(=O)(F)Oc1ccc(Cl)cc1	1962712180	HFIIWQPDFQIATN-UHFFFAOYSA-N	210.613	1.933	70	20	BDID	
C[C@H](CCO)CNC(=O)/C=C\c1cccnc1	218011247	CQJDDNRZKBCCBH-DOGVGXBMSA-N	234.299	1.230	70	20	BDID	
CCC(CC)C(=O)N(CC)CCCO	160293438	KSUHQVMJMZEYSG-UHFFFAOYSA-N	201.310	1.654	70	20	BDID	
CS[C@@H](C)CNC(=O)Nc1cccnc1	160814349	VSNVIRACWYFAJS-QMMMGPOBSA-N	225.317	1.955	70	20	BDID	
C[C@H](NCCC(C)(C)O)c1cnn(C)c1	159842235	VWBDDLNEGZBMQX-VIFPVBQESA-N	211.309	1.232	70	20	BDID	
C[C@H](CCO)NC(=O)NCC1(C)CCCC1	159472019	HXXWHEDLIGJJMX-SNVBAGLBSA-N	228.336	1.637	70	20	BDID	
CN(C)c1ccc(NC(=O)N2CCNCC2)cc1	217311350	OFWUEFSMVZORRF-UHFFFAOYSA-N	248.330	1.190	70	20	BDID	
CCCN(CCC)CCCCS(C)(=O)=O	161380590	NJNHCNJNDQFHOA-UHFFFAOYSA-N	235.393	1.933	70	20	BDID	
c1nc2c(n1C[C@@H]1CCOC1)CCCC2	160720971	FQTRHULQYYIUDF-JTQLQIEISA-N	206.289	1.798	70	20	BDID	
CNC(=O)C(C)(C)CNc1nnc(C)s1	161087483	PHUGZNNPMAYPAA-UHFFFAOYSA-N	228.321	1.031	70	20	BDID	
C[C@H](NC(=O)N[C@@H]1CCOC1)C1CCC1	160199953	IWGYBBKFYJDCKU-WCBMZHEXSA-N	212.293	1.263	70	20	BDID	
CC[C@@H](C)[C@H](C)N[C@@H]1CCc2nc(C)nn2C1	160325481	IUSWPTQNMHWZGV-JFGNBEQYSA-N	236.363	1.926	70	20	BDID	
COC[C@H](NC(=O)Nc1cccnn1)C1CC1	160939919	NOMHRRCSMHONSY-VIFPVBQESA-N	236.275	1.023	70	20	BDID	
COCCCCNC(=O)C[C@H](C)SC	159408306	BHNYRSYZRPERJP-VIFPVBQESA-N	219.350	1.671	70	20	BDID	
COCC(=O)N[C@@H]1CCOC2(CCCC2)C1	159924770	CLKXOXWTXHYCLB-SNVBAGLBSA-N	227.304	1.241	70	20	BDID	
C[C@@H](CNC(=O)N[C@H]1CCOC1)c1ccccc1	159361062	NZSVARQGGDGLRJ-AAEUAGOBSA-N	248.326	1.878	70	20	BDID	
CCC[C@@](C)(N)C(=O)N(C)CCSC	159597923	FEOJTLZFCYCVAQ-SNVBAGLBSA-N	218.366	1.325	70	20	BDID	
C[C@H](N)CC(=O)N(C)[C@H]1CCC[C@@H](C)C1	218598822	MBNCZEFDKLKYNY-VWYCJHECSA-N	212.337	1.761	70	20	BDID	
COc1ccnc(NC(=O)c2cccn2C)c1	161501270	BPOYMLBQYWCPAD-UHFFFAOYSA-N	231.255	1.681	70	20	BDID	
CCN(CC)C(=O)CSCCn1ccnc1	160202717	OODAAYQGASOFDG-UHFFFAOYSA-N	241.360	1.485	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc[nH]c1C	160507441	IQJNOYNKKIPNFO-MRVPVSSYSA-N	238.287	1.395	70	20	BDID	
NC(=O)[C@@H](NC1CC=CC1)c1ccc(F)cc1	160893146	XCBJDTMQXUIQQI-LBPRGKRZSA-N	234.274	1.660	70	20	BDID	
CSC[C@](C)(O)CNc1nccc(C)n1	217512172	PKTOROJZCUIPFP-SNVBAGLBSA-N	227.333	1.311	70	20	BDID	
CCC[C@@H](C)CC(=O)N1CC[C@H](NC)C1	160637767	BNSNMXPUYGIPOV-MNOVXSKESA-N	212.337	1.633	70	20	BDID	
Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2O)cc1O	160898921	SSJVJFLHFBMSNC-QWRGUYRKSA-N	235.283	1.344	70	20	BDID	
O=C(/C=C\c1ccccc1)NC[C@H]1CCCCN1	217436807	GGMMMPZAECWPDN-CFYYFVFUSA-N	244.338	1.958	70	20	BDID	
CCOC(=O)CNC(=O)Cc1ccc(CC)cc1	161057651	YNEHNNSMEBPHQK-UHFFFAOYSA-N	249.310	1.471	70	20	BDID	
C[C@H](CC(=O)N1CC[C@@H](O)C1)c1ccncc1	161169093	JSBZRUBCHPUIGP-ZYHUDNBSSA-N	234.299	1.168	70	20	BDID	
Cc1ccnc(N2CCC3(CC2)OCCO3)c1	161182190	QVGQMEMRQIJDAN-UHFFFAOYSA-N	234.299	1.733	70	20	BDID	
CCCCO[C@@H](C)C(=O)N1CC[C@H](NC)C1	160756421	NJFRISGUEZJDJY-QWRGUYRKSA-N	228.336	1.012	70	20	BDID	
CCCC1(CNC(=O)CS(=O)(=O)CC)CC1	160723901	QZHIQLZUTAPZIU-UHFFFAOYSA-N	247.360	1.118	70	20	BDID	
C[C@H](N)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C	160902527	ZRXMOHLCBMEDHS-NTZNESFSSA-N	232.327	1.738	70	20	BDID	
O=C(NC[C@H]1CC=CCC1)N[C@H]1CCOC1	159441673	GEMYIVDNMMHXKC-QWRGUYRKSA-N	224.304	1.431	70	20	BDID	
CC[C@@H](N)C(=O)NC[C@@H]1CCc2ccccc21	159730563	UUBJEJFFKYNARC-WCQYABFASA-N	232.327	1.570	70	20	BDID	
COC[C@@H](C)NC(=S)N[C@H](C)C1CCC1	160039693	CTIQSJMVGHERQG-RKDXNWHRSA-N	230.377	1.674	70	20	BDID	
COC[C@@H](C)N(C)C(=O)c1ccncc1F	161390673	HWWLJUUDUFCHTL-MRVPVSSYSA-N	226.251	1.328	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)COCCOC	159531945	JWSUCVVQCCRCMJ-MNOVXSKESA-N	229.320	1.344	70	20	BDID	
CCCCO[C@@H](C)C(=O)NCC(N)(CC)CC	160536145	RWKMHXYRKDGXEG-NSHDSACASA-N	244.379	1.825	70	20	BDID	
C[C@@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCC2	159602265	DELZYDKAYPGTLB-MRVPVSSYSA-N	232.283	1.491	70	20	BDID	
CCOC[C@H](O)CN[C@@H](CC)CSC	217330061	OXPKMETULFJWHK-VHSXEESVSA-N	221.366	1.115	70	20	BDID	
C/C=C/C=C\C(=O)NC[C@@H]1CCCCN1	217435479	JHYMPIINUXCJND-QMEIYDMWSA-N	208.305	1.377	70	20	BDID	
C(CN1CCN(CC2CC2)CC1)OCC1CC1	159404501	YMNBFSBJCATHMT-UHFFFAOYSA-N	238.375	1.441	70	20	BDID	
COCC(C)(C)NCc1cn(C)nc1C	160143250	SNWLHNXJUQGFDS-UHFFFAOYSA-N	211.309	1.243	70	20	BDID	
Cc1cccc(C(=O)N2CCN(C)CC2)c1F	161384388	JUEUBNMZQOKECA-UHFFFAOYSA-N	236.290	1.522	70	20	BDID	
CC[C@H](CCO)N[C@H]1CCOC(C)(C)C1	217708759	RWHHYXFSSYLEGF-MNOVXSKESA-N	215.337	1.695	70	20	BDID	
CN1CCC(C(=O)N2[C@H]3C=CC[C@H]2CC3)CC1	218723176	XDZRFKLSHIMZBM-STQMWFEESA-N	234.343	1.648	70	20	BDID	
O=C(OCc1cc(=O)c(O)co1)c1ccccn1	218200213	QRAGZDUWEPUVJL-UHFFFAOYSA-N	247.206	1.097	70	20	BDID	
CCCCNC(=O)N[C@H]1CC(=O)N(C(C)C)C1	217287978	FZGSKXFONYYZJB-JTQLQIEISA-N	241.335	1.095	70	20	BDID	
CC1CCN(C(=O)N[C@@H]2CCOC2)CC1	159555279	UAHJFPXPVRKCTL-SNVBAGLBSA-N	212.293	1.217	70	20	BDID	
CNC(=O)C(C)(C)CNc1ccccn1	161074267	IUXQKAJQGBDCLD-UHFFFAOYSA-N	207.277	1.266	70	20	BDID	
CCN(Cc1ccccn1)[C@@H](C)C(=O)NC1CC1	161125634	PPXFGARBLBVBAK-NSHDSACASA-N	247.342	1.571	70	20	BDID	
COc1cccnc1N1CCC(O)CC1	160302437	WLFJLGVYXUBCBL-UHFFFAOYSA-N	208.261	1.051	70	20	BDID	
CCCCSCCC(=O)N(C)[C@H](C)CO	160588624	KDLRLZGFJNXQMU-SNVBAGLBSA-N	233.377	1.749	70	20	BDID	
CC[C@H](N)C(=O)NCCCc1cccc(F)c1	159452803	OWJIWJXTFDUJMM-LBPRGKRZSA-N	238.306	1.612	70	20	BDID	
Cc1cc(S(=O)(=O)F)c(F)cc1[N+](=O)[O-]	238851214	FTTHVLDXHMMDJA-UHFFFAOYSA-N	237.183	1.701	70	20	BDID	
CC[C@@H]1CCCCN1Cc1nncn1C	160670140	WGHJXHPXPUFZFH-SNVBAGLBSA-N	208.309	1.580	70	20	BDID	
CCCCN(CCO)CCCN1CCCCC1	160902785	CEDYHXPIRKRTCE-UHFFFAOYSA-N	242.407	1.957	70	20	BDID	
CC(C)C1(O)CN(C(=O)/C=C\c2ccccc2)C1	216965558	BPYRHFCTGQZPKU-HJWRWDBZSA-N	245.322	1.929	70	20	BDID	
CC[C@@H](NCCC(C)(C)O)[C@@H]1CCCO1	159757196	YCUUVMVEAXARRR-MNOVXSKESA-N	215.337	1.695	70	20	BDID	
CSCC[C@H](N)c1nc([C@@H]2C[C@H]2C)no1	161006762	JCHMPNNLDALSCY-PRJMDXOYSA-N	227.333	1.946	70	20	BDID	
Cc1nccc(N(C)CC2CCOCC2)n1	161285506	HDAGVEUYLWAGSM-UHFFFAOYSA-N	221.304	1.648	70	20	BDID	
N#Cc1c(Cl)cccc1OS(=O)(=O)F	1887578300	KNIPDVAXFBZKHQ-UHFFFAOYSA-N	235.623	1.805	70	20	BDID	
CSCCCCC(=O)N1CCC[C@@H]1CN	160181660	GPVCQVVDYBCEGW-SNVBAGLBSA-N	230.377	1.469	70	20	BDID	
N[C@H]1CCC[C@@H](NC(=O)c2cscn2)C1	160778412	PCJPHBJENOIOPL-JGVFFNPUSA-N	225.317	1.143	70	20	BDID	
C[C@H]1CO[C@H](C)CN1CCNC(C)(C)C	218080481	PKWABLXHKPWZNO-WDEREUQCSA-N	214.353	1.484	70	20	BDID	
CC1=C(C(=O)N(C)Cc2nccn2C)CCCO1	160016386	CKPPNGPNQMTBGD-UHFFFAOYSA-N	249.314	1.463	70	20	BDID	
CCCC1(CNC(=O)[C@H](C)S(C)(=O)=O)CC1	160693132	DZAIHFYOBNYWLK-VIFPVBQESA-N	247.360	1.116	70	20	BDID	
CCCCNC(=S)N1CCN(CC)[C@H](C)C1	159747340	BGQAQKKPUINEOV-LLVKDONJSA-N	243.420	1.687	70	20	BDID	
CCOC(=O)CCN(C)c1ncc(Cl)cn1	160249392	CTZQWILUNWHVRL-UHFFFAOYSA-N	243.694	1.519	70	20	BDID	
C[C@H](NC(=O)N[C@H](C)CCO)c1ccccn1	161146333	RCLPFLUUULLDTH-ZJUUUORDSA-N	237.303	1.213	70	20	BDID	
CCn1c(C)cc(C(=O)NC2(CO)CC2)c1C	160247264	RNSXXEYDFXNTEN-UHFFFAOYSA-N	236.315	1.380	70	20	BDID	
O=C(c1nnc[nH]1)N1CC=C(C(F)(F)F)CC1	160585209	OCHKUHWRHWLONT-UHFFFAOYSA-N	246.192	1.139	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H]1C[C@]1(C)CC	160810959	HTLRHCBDHOGVHO-KWBADKCTSA-N	241.331	1.881	70	20	BDID	
Cc1ccccc1CN(C)C(=O)N[C@H]1CCOC1	159385491	MIAKRQMLQMCFGU-ZDUSSCGKSA-N	248.326	1.925	70	20	BDID	
CCC1(CNC(=O)[C@H]2CSCN2)CCC1	159633441	VDYCGDMOGDUVIX-SECBINFHSA-N	228.361	1.345	70	20	BDID	
COC[C@H](C)SCCN1CCOCC1	160034984	GCGQUCBDONTGEN-JTQLQIEISA-N	219.350	1.087	70	20	BDID	
O=C(NCCCF)c1cccc(-n2ccnn2)c1	160045090	HKVTUPJQPSUTAD-UHFFFAOYSA-N	248.261	1.357	70	20	BDID	
Cc1cc(C)nc(N[C@H](C)[C@@H]2CCOC2)n1	160430475	OMMYGQDBRFDCHP-GHMZBOCLSA-N	221.304	1.930	70	20	BDID	
C[C@@H](N)[C@H]1CCN(CCC(F)(F)F)C1	159505520	JZMAPIHAFUACTD-SFYZADRCSA-N	210.243	1.608	70	20	BDID	
CC[C@@H]1CCC[C@@H](NC(=O)[C@]2(F)CCNC2)C1	159366973	UPQQIHDHZPYEJO-WZRBSPASSA-N	242.338	1.773	70	20	BDID	
CNC[C@H](C)C(=O)N(C(C)C)C1CCC1	160561432	AFDFNAFOMBIBBO-JTQLQIEISA-N	212.337	1.631	70	20	BDID	
CCN(CC)C(=O)N1CC[C@H](CCN)C1	160007006	IVNZUBWUPOVLJN-JTQLQIEISA-N	213.325	1.119	70	20	BDID	
Cc1ccsc1[C@@H](C)N[C@H](C)CC(N)=O	160668967	NCSZPHBCRZBJOY-RKDXNWHRSA-N	226.345	1.971	70	20	BDID	
CC(C)NC(=O)CN[C@@H](C)c1cscn1	161144899	HYXXTIOXKNUYOX-QMMMGPOBSA-N	227.333	1.318	70	20	BDID	
CNC[C@H]1CCCN1C(=O)CCCCOC	161284706	PXOFYXGCAGKEHS-LLVKDONJSA-N	228.336	1.014	70	20	BDID	
CCCCNC(=S)N(C)CCOCC	161485797	DETXXTGSXWUJDR-UHFFFAOYSA-N	218.366	1.629	70	20	BDID	
Cc1ccc(CN2CCC[C@H]2C(N)=O)cc1F	160368765	YNIGMKHQYISSIA-LBPRGKRZSA-N	236.290	1.584	70	20	BDID	
CCCOCC(=O)NCC1(N)CCCCC1	159536267	TUCXMXQBNBUTGJ-UHFFFAOYSA-N	228.336	1.191	70	20	BDID	
CCN(CCCO)[C@H](C)C(=O)OC(C)(C)C	160731539	HZXAELLWLFXECV-SNVBAGLBSA-N	231.336	1.421	70	20	BDID	
CCN(C)C(=O)NCC1(CCOC)CC1	161053336	CYMDDSIZGPVGDJ-UHFFFAOYSA-N	214.309	1.464	70	20	BDID	
COCC(=O)N[C@@H]1CCOC2(CCCCC2)C1	160758573	XKVUTPFAVKDVBA-LLVKDONJSA-N	241.331	1.631	70	20	BDID	
CCc1n[nH]c(-c2ccccc2NC(C)=O)n1	161237119	VOGNIDGFAUXQPY-UHFFFAOYSA-N	230.271	1.993	70	20	BDID	
C[C@@H](CO)SCC(=O)NCc1ccco1	160767641	HYGQDPTVPXCFBZ-QMMMGPOBSA-N	229.301	1.010	70	20	BDID	
CCOCCNC(=O)[C@@H]1CCC[C@@H](C)C1	160907592	VBOUZEJXPXRBCJ-GHMZBOCLSA-N	213.321	1.965	70	20	BDID	
CN(CC1CC1)C(=O)[C@@]1(C)CCCCN1	159572052	BJUGDBZSHKNGAD-GFCCVEGCSA-N	210.321	1.387	70	20	BDID	
CC(C)CN(CC(N)=O)C(=O)CC(C)(C)C	159743007	VIDPQIFBXUZTBC-UHFFFAOYSA-N	228.336	1.393	70	20	BDID	
O=C(CCl)Nc1ccc(-c2nnn[nH]2)cc1	95233162	VYVPXHFOMDQYNT-UHFFFAOYSA-N	237.650	1.044	70	20	BDID	
CN(C)[C@@H](CNC(=O)C(F)F)c1ccco1	217612121	PHCTWMOIBSQWMG-ZETCQYMHSA-N	232.230	1.264	70	20	BDID	
C[C@H](Nc1ccc(C(N)=O)nn1)C1CCC1	160058507	WOVLCFBOKLJHOX-ZETCQYMHSA-N	220.276	1.176	70	20	BDID	
C[C@H](N)C(=O)NCc1ccccc1OCC1CC1	160099416	AMDNACHOVPOHAH-JTQLQIEISA-N	248.326	1.439	70	20	BDID	
CS[C@@H](C)CNC(=O)CNC(C)(C)C	159469146	JKJWVOSPSJTMNC-QMMMGPOBSA-N	218.366	1.242	70	20	BDID	
O=C(NCC1CCSCC1)N[C@@H]1CCOC1	159457517	NEQBNXARWLFPBQ-SNVBAGLBSA-N	244.360	1.218	70	20	BDID	
CCCC[C@@H](C(=O)OC)N(C)CCCOC	160798252	BFTIKGKARNZXPM-NSHDSACASA-N	231.336	1.687	70	20	BDID	
Cn1cc(C(=O)NCCc2cccc(O)c2)cn1	160168995	UNCONLPRESBHMS-UHFFFAOYSA-N	245.282	1.098	70	20	BDID	
C[C@@H]1CCCCN1CCCCNC(=N)N	161508053	CLQFBWTYPBNJLM-SNVBAGLBSA-N	212.341	1.124	70	20	BDID	
COC(=O)[C@@H](C)SCc1ncc(Cl)n1C	160218701	NHGKRLWSWITBKQ-ZCFIWIBFSA-N	248.735	1.868	70	20	BDID	
CC(C)[C@H](C(=O)NC1CC=CC1)N(C)C	159451451	FGOVVRAOAKQVMN-LLVKDONJSA-N	210.321	1.407	70	20	BDID	
CC[C@H](C)CN(C)C(=O)N[C@H]1CCOC1	159458486	XTUZFKOZJPIIBT-UWVGGRQHSA-N	214.309	1.463	70	20	BDID	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1NC(=O)CN	217822796	USPZVZKSBQFZDR-VWYCJHECSA-N	212.337	1.522	70	20	BDID	
Fc1cncc(CNC[C@@H]2CCCO2)c1	160124203	KVWSHMILALIXDG-NSHDSACASA-N	210.252	1.489	70	20	BDID	
O=S(=O)(F)CCN1CCc2cccc(F)c21	883954346	JUJBTDNAINYFPZ-UHFFFAOYSA-N	247.266	1.488	70	20	BDID	
CC[C@H](C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1262672496	AKZLLZHGUUYLBD-LURJTMIESA-N	248.279	1.201	70	20	BDID	
CCc1ccccc1C(=O)NCC(=O)NC1CC1	160687485	KASQZANRBOCSGV-UHFFFAOYSA-N	246.310	1.257	70	20	BDID	
CC(C)(C)c1cnc([S@](=O)CC(N)=O)s1	160468103	NHKDPHFNQNZEMS-HNNXBMFYSA-N	246.357	1.034	70	20	BDID	
CC(C)(F)C(=O)NC[C@H]1CCCS1	159639075	VCDJLWCFQYSIEX-SSDOTTSWSA-N	205.298	1.746	70	20	BDID	
CC(C)OC[C@@H](C)CS(=O)(=O)Cl	112159573	RBKIIIKXLCPBRZ-SSDOTTSWSA-N	214.714	1.616	70	20	BDID	
CCCCOCCN1CC[C@@H](CCN)C1	160045943	QHQGLEFBBKZJOI-GFCCVEGCSA-N	214.353	1.474	70	20	BDID	
Cc1cnccc1CNc1ncccn1	160680469	UASZGENTOIMJFI-UHFFFAOYSA-N	200.245	1.792	70	20	BDID	
O=C(NOCc1cccnc1)NC1CCCC1	160985244	CJXJQMUNVWVBTF-UHFFFAOYSA-N	235.287	1.755	70	20	BDID	
C[C@@H](CNC(=O)N[C@@H]1CCOC1)C1CC1	159423415	ZTBOJZCGODAVPB-WCBMZHEXSA-N	212.293	1.121	70	20	BDID	
CN(Cc1cccs1)C(=O)N[C@H]1CCOC1	159442429	UUGQWLNXRKQZCA-VIFPVBQESA-N	240.328	1.678	70	20	BDID	
CCC[C@@H](O)CNc1ccc(Cl)nn1	218002436	NQPZTFDDQIXCFB-SSDOTTSWSA-N	215.684	1.703	70	20	BDID	
CC[C@@H](CSC)NC(=O)CC(C)(C)N	217332462	XRFYQYLXYRKAEV-QMMMGPOBSA-N	218.366	1.372	70	20	BDID	
OC[C@H]1CCCN1CCCN1CCCCC1	160707577	CUMWSYLUYVYMRC-CYBMUJFWSA-N	226.364	1.319	70	20	BDID	
Cc1ccc(C(=O)N[C@@H]2CCC[C@@H](N)C2)cc1	160967333	JCTVDSJBAKKWTP-CHWSQXEVSA-N	232.327	1.995	70	20	BDID	
CN(Cc1nccn1C)C(=O)C1(C)CC1	159812293	CEIDNRUDFKSLRL-UHFFFAOYSA-N	207.277	1.179	70	20	BDID	
CCN(C)CCNC(=O)CCC(C)(C)C	160145966	YSLYATNDCPIHEF-UHFFFAOYSA-N	214.353	1.881	70	20	BDID	
COC(=O)c1ccc(CS[C@@H](C)CO)o1	160747726	LNBCPCIJFDDNCB-ZETCQYMHSA-N	230.285	1.680	70	20	BDID	
CC(=O)N1CC[C@@H](NC(=O)CCC2CCC2)C1	159563661	RZMHJMJCOMKUOB-GFCCVEGCSA-N	238.331	1.304	70	20	BDID	
COc1cc(N[C@H]2CCOC(C)(C)C2)ncn1	159998653	VYZJQZRXTVZHEH-VIFPVBQESA-N	237.303	1.855	70	20	BDID	
Cc1noc(CN(C)OCc2ccccc2)n1	159631465	RRKGCUKQYCYTSA-UHFFFAOYSA-N	233.271	1.942	70	20	BDID	
O=S(=O)(Cl)Cc1cccc2c1CCOC2	217828621	BZLTZTHIYCPDBW-UHFFFAOYSA-N	246.715	1.828	70	20	BDID	
CCc1ccc(C(C)(C)C(=O)NCCCN)cc1	160090064	PFCLTIZQRSAXEX-UHFFFAOYSA-N	248.370	1.992	70	20	BDID	
CCN(Cc1ccncc1)C(=O)N[C@@H]1CCOC1	159472206	FIDWDAZQGDTBLO-GFCCVEGCSA-N	249.314	1.402	70	20	BDID	
Cc1nnc(CN2CC[C@@H]3CCCC[C@@H]32)n1C	159700499	NWXQBEZXARWKBB-RYUDHWBXSA-N	234.347	1.888	70	20	BDID	
CC(C)S(=O)(=O)CCCn1ccnc1	160612493	MJFTVHSPODRDKP-UHFFFAOYSA-N	216.306	1.096	70	20	BDID	
CCOCCCN1C[C@H](C)OC(C)(C)C1	159667540	XMUUVLUCOMVWCV-NSHDSACASA-N	215.337	1.912	70	20	BDID	
CC[C@H](C)NC(=O)CS[C@H](C)CO	160779501	WFLRSAJLHMKYKL-JGVFFNPUSA-N	205.323	1.015	70	20	BDID	
C[C@H](N)C(=O)NC[C@@H]1CCCO[C@@H]1C(C)(C)C	161175078	LIQDDMOPYPRDTH-DCAQKATOSA-N	242.363	1.291	70	20	BDID	
C[C@@H](CO)N(C)C(=O)[C@@H](C)c1cccs1	160480225	CDEJYPHLZDLLDK-IUCAKERBSA-N	227.329	1.691	70	20	BDID	
CCC[C@@H](C(=O)Nc1nnc(C)s1)N(C)C	159613675	FTMWNKOVQGJIAS-QMMMGPOBSA-N	242.348	1.515	70	20	BDID	
CC(C)[C@@H](CC1CCCC1)C(=O)NCCO	159362197	YXEWVPVNTVLWBM-GFCCVEGCSA-N	227.348	1.947	70	20	BDID	
CC[C@H](CSC)N[C@H]1CCCNC(=O)C1	217329523	MRWXWFZHCXYIDD-ZJUUUORDSA-N	230.377	1.386	70	20	BDID	
CCOC(=O)CNC(=O)c1cc(C(C)C)on1	160089731	UDPUFHRJPIEQEN-UHFFFAOYSA-N	240.259	1.091	70	20	BDID	
CC(C)S(=O)(=O)CCCN(C)C1CC1	160792500	CRCNFZMZMAEXER-UHFFFAOYSA-N	219.350	1.294	70	20	BDID	
C1=CCC(N[C@H]2CCN3CCC[C@H]3C2)C1	159988402	NJQDJLUCHWGFTA-STQMWFEESA-N	206.333	1.921	70	20	BDID	
O=C(Nc1ccc(F)cc1)N[C@H]1CCOC1	159390039	UPDYODUJEOSDAC-JTQLQIEISA-N	224.235	1.736	70	20	BDID	
CCc1nc(CN[C@@H](CO)c2ccccc2)n[nH]1	160287675	OCYQKIYAJUGODN-NSHDSACASA-N	246.314	1.190	70	20	BDID	
CCc1ccc(CC(=O)N2CCC[C@@H]2CN)cc1	160296056	UUHKAOJGOCPFNW-CQSZACIVSA-N	246.354	1.741	70	20	BDID	
Cn1ccc(NCc2cc(O)cc(F)c2)n1	159592681	BSSHRODSKJNFCR-UHFFFAOYSA-N	221.235	1.877	70	20	BDID	
CCCCSCC(=O)NC1(CO)CCC1	161105577	HDHKZGPEXJITDE-UHFFFAOYSA-N	231.361	1.551	70	20	BDID	
COC[C@@H](C)N[C@@H](C)c1cscn1	161127264	CYEWUGBEFFGBGP-SFYZADRCSA-N	200.307	1.829	70	20	BDID	
C[C@H](NC(=O)c1cccc(F)n1)[C@H]1CCOC1	161445444	YOXAXOCMZSVOKG-IUCAKERBSA-N	238.262	1.376	70	20	BDID	
C[C@@H]1CN(C(=O)N[C@@H]2CCOC2)C[C@@H](C)S1	159435925	JQAUZXQCSZNTCC-OPRDCNLKSA-N	244.360	1.311	70	20	BDID	
CS[C@H](C)CNC(=O)CCC(C)=O	159471720	MORQLGALGQGCON-MRVPVSSYSA-N	203.307	1.223	70	20	BDID	
CCC[C@H](O)CN[C@@H]1CCO[C@@H](CC)C1	217721392	QIFZJPIVVJZSAJ-WOPDTQHZSA-N	215.337	1.695	70	20	BDID	
c1c[nH]c(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n1	159526947	MSPPXWCGASHPEN-WCQGTBRESA-N	233.315	1.457	70	20	BDID	
CC1CCN(CCCS(=O)(=O)C(C)C)CC1	160492772	NABVGYMMDPNHBO-UHFFFAOYSA-N	247.404	1.932	70	20	BDID	
CCOC(CN1CCN(C)[C@@H](C)C1)OCC	216769171	UZNNVGMYBVXHMT-NSHDSACASA-N	230.352	1.021	70	20	BDID	
CN(C(=O)[C@@H]1C[C@H]2C[C@H]2N1)C1CCCCC1	217663940	MJGVFEJTYKEJRJ-JLLWLGSASA-N	222.332	1.528	70	20	BDID	
C[C@@H](C(=O)N1CC[C@@H](CCN)C1)C1CC1	159986846	WKZGXGZUDNKVOY-NXEZZACHSA-N	210.321	1.230	70	20	BDID	
C[C@H]1Cc2cc(CNCCO)ccc2O1	161141827	DHLANCZZFBNTGQ-VIFPVBQESA-N	207.273	1.092	70	20	BDID	
COC[C@@H](C)S(=O)(=O)NCC1(C2CC2)CC1	160170633	RKTSHMXJDAYBQF-SECBINFHSA-N	247.360	1.131	70	20	BDID	
CC[C@H](COC)NS(=O)(=O)CCC(C)C	160322756	QLLFNFABDWGTNC-SNVBAGLBSA-N	237.365	1.377	70	20	BDID	
C[C@H]1OCC[C@@H]1SCCn1ccnc1	160332357	NYKSXYMIMIXDAY-ZJUUUORDSA-N	212.318	1.794	70	20	BDID	
C[C@H]1C(=O)NCCN1CCC1CCCC1	160354954	WULJQHRYHFIKRW-JTQLQIEISA-N	210.321	1.387	70	20	BDID	
CSC[C@H](C)NC(=O)c1ccncc1F	161404543	ZHPOHDVLNCDEAC-ZETCQYMHSA-N	228.292	1.702	70	20	BDID	
CC(C)c1cc(C(=O)NC2CC=CC2)nn1C	160800230	QBAXPZAPYGTQDX-UHFFFAOYSA-N	233.315	1.992	70	20	BDID	
CCS[C@@H](C(=O)N1CC[C@@H](NC)C1)C(C)C	160806706	KRIUQRBCCUSGDT-GHMZBOCLSA-N	244.404	1.584	70	20	BDID	
C[C@@H](CCn1cccn1)NC1(CO)CCCC1	159380409	PZSBNVCPTFLZPM-LBPRGKRZSA-N	237.347	1.556	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)C1(C)CCC1	161026500	XGMGEUFUNVJQJY-JTQLQIEISA-N	213.321	1.700	70	20	BDID	
CC(=O)N(C)[C@@H](CO)Cc1ccccc1	216910911	RSBWONWBJAUPFU-GFCCVEGCSA-N	207.273	1.068	70	20	BDID	
C[C@@H]1CN([C@H](C)C(N)=O)Cc2ccccc21	216847410	QAIQUSRLVDICNO-NXEZZACHSA-N	218.300	1.480	70	20	BDID	
CC1(C)C[C@@H]1CNc1ccc(C(N)=O)nn1	218053945	LUOZGKBZINTBPH-SSDOTTSWSA-N	220.276	1.034	70	20	BDID	
CC(C)(C)C(=O)NCC1(N)CCCCC1	159732395	CFPXWBCVYXYIQF-UHFFFAOYSA-N	212.337	1.810	70	20	BDID	
CNC[C@@H]1CCCN1C(=O)[C@@H](C)CSC	161203110	QQBCHLRVEKWYIP-UWVGGRQHSA-N	230.377	1.196	70	20	BDID	
C[C@H](N[C@H](C)c1cscn1)C(=O)N(C)C	161156246	PCIKTODYXWFGKT-SFYZADRCSA-N	227.333	1.270	70	20	BDID	
CC[C@H](C)CS(=O)(=O)NC1(C)CCOCC1	161029245	JLOJGTHVQMNFIW-JTQLQIEISA-N	249.376	1.521	70	20	BDID	
CCc1nnc(CS[C@@H](C)CO)o1	160721763	YAFGMFVHBLRJJX-LURJTMIESA-N	202.279	1.246	70	20	BDID	
CCOC(C)(C)CNc1nccn2c(C)nnc12	159522653	GISNTSPXJSFVRR-UHFFFAOYSA-N	249.318	1.660	70	20	BDID	
COC(CN1CCS[C@@H]2CCCC[C@@H]21)OC	161494518	KFSJNJXKRPYWKK-WDEREUQCSA-N	245.388	1.965	70	20	BDID	
CCC[C@@H](C)C(=O)N[C@@H](CCO)C(C)C	160561206	VYZHQHLTQJYPDP-MNOVXSKESA-N	215.337	1.946	70	20	BDID	
COCOc1ccc([B-](F)(F)F)c(OC)c1	309961039	YQJSOHYADOYPLX-UHFFFAOYSA-N	234.990	1.732	70	20	BDID	
CCO[C@H](CC)C(=O)N[C@H]1CCC[C@H](N)C1	161067184	ASFXSDCFLRVWEM-GARJFASQSA-N	228.336	1.188	70	20	BDID	
CCC[C@@H](C)C(=O)N[C@@H](C)CC(=O)OCC	160733704	UGGAZADADZSUGM-ZJUUUORDSA-N	229.320	1.881	70	20	BDID	
CCOC(C)(C)CNC(=O)COC(C)C	159784430	FLPWRDGAKIVBRE-UHFFFAOYSA-N	217.309	1.343	70	20	BDID	
C[C@@H]1C(=O)N(Cc2nccs2)C(=O)[C@@H]1C	161385504	YWSPIUZPVMCOAO-KNVOCYPGSA-N	224.285	1.284	70	20	BDID	
O=C(/C=C\c1cccc(F)c1)NCc1ncc[nH]1	216999152	JGCPAAZVKBGWOD-PLNGDYQASA-N	245.257	1.878	70	20	BDID	
CCNCCNCc1ccc(F)cc1F	161315361	IZNRBIGVXJXQGX-UHFFFAOYSA-N	214.259	1.664	70	20	BDID	
CC(C)N1CCN(C(=O)[C@H]2CCCCO2)CC1	161182216	VDNGODWZZYEBGB-GFCCVEGCSA-N	240.347	1.108	70	20	BDID	
CS[C@H](C)CNC(=O)C1=C(C)OCCC1	161374356	ZKNHBNLRFSZNCY-MRVPVSSYSA-N	229.345	1.939	70	20	BDID	
C[C@@H](Nc1ccc(C(N)=O)cn1)C1CCC1	160065200	DYSQKFMZNAEYRA-MRVPVSSYSA-N	219.288	1.781	70	20	BDID	
Cc1ccc2c(c1)[C@@H](NC(=O)CN(C)C)CO2	160126686	GVJDFJIYAOXWEB-NSHDSACASA-N	234.299	1.106	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)C1[C@H]2CCC[C@@H]12	160420908	NJYVUSIVZTXNEE-HPHBORHKSA-N	239.315	1.490	70	20	BDID	
COc1cccnc1NCc1ccn(C)n1	159445870	IEBAMWZQWCRKGH-UHFFFAOYSA-N	218.260	1.436	70	20	BDID	
Cc1cc(NC(=O)[C@H]2C[C@@H]2C2CC2)c[nH]c1=O	159677471	ZMLSIOFBAYZSHU-MNOVXSKESA-N	232.283	1.668	70	20	BDID	
O=C(N[C@@H]1CCOC1)N1CCC[C@@H]2CCC[C@H]21	159382442	OLJMIVFMJTYVOB-QJPTWQEYSA-N	238.331	1.749	70	20	BDID	
C[C@@H]1CCC[C@@H](C(=O)N2CCNCC2)C1	159410900	UHSQMJPCOWNLBD-GHMZBOCLSA-N	210.321	1.245	70	20	BDID	
C[C@H](C(=O)N1CC[C@H](CCN)C1)C1CC1	159986468	WKZGXGZUDNKVOY-UWVGGRQHSA-N	210.321	1.230	70	20	BDID	
O=S(=O)(Cl)c1c(O)cccc1Cl	104549713	WQBJJDZPSOIRBV-UHFFFAOYSA-N	227.068	1.973	70	20	BDID	
O=C(NCCc1cccc(O)c1)c1ccon1	160254425	MTWBCROTPDVUGN-UHFFFAOYSA-N	232.239	1.353	70	20	BDID	
CCNC(=O)CNC(=O)c1ccccc1CC	160698473	HGYDZHSMQPXTDU-UHFFFAOYSA-N	234.299	1.115	70	20	BDID	
CCCn1ccnc1CS(=O)(=O)Cl	118899694	ARYXLSFTTMCDMK-UHFFFAOYSA-N	222.697	1.362	70	20	BDID	
Cn1ccc(C(=O)Cn2cnc3c2CCCC3)c1	216881633	DAXORZAAEUSHBS-UHFFFAOYSA-N	243.310	1.983	70	20	BDID	
CCN(Cc1nncn1C)C1CCCCC1	160762139	FCULNDDGLOARNV-UHFFFAOYSA-N	222.336	1.970	70	20	BDID	
C[C@@H](C(=O)N1CCC[C@H]1CN)c1cccs1	160218351	KQENKBFPZBAIQM-ZJUUUORDSA-N	238.356	1.801	70	20	BDID	
CC(C)(CCO)NC(=O)c1ccccc1	160777941	DFUMLHONUVWNIO-UHFFFAOYSA-N	207.273	1.577	70	20	BDID	
CCc1ccc(C(C)(C)C(=O)NCCO)cc1	159403917	MRBJMOZMTOHGEH-UHFFFAOYSA-N	235.327	1.635	70	20	BDID	
COC[C@H](NCCCN1CCCC1=O)C1CC1	159587574	WTYKVOIMIPWAEE-LBPRGKRZSA-N	240.347	1.014	70	20	BDID	
COC(=O)C[C@@H]1CCCCN1CCCF	161074912	VAKZHPUEKCUINN-JTQLQIEISA-N	217.284	1.764	70	20	BDID	
CCN(C)CCN[C@H](C)c1cscn1	161174594	LUSABZUPZCTUBQ-SECBINFHSA-N	213.350	1.745	70	20	BDID	
CCc1nn(C)cc1CNc1cccnc1OC	161118950	JFHSRHLUWHVRQI-UHFFFAOYSA-N	246.314	1.998	70	20	BDID	
Cc1ccc(C(N)=O)cc1NCC1=CCCOC1	160036959	VHTGKIUUXMNTKC-UHFFFAOYSA-N	246.310	1.853	70	20	BDID	
COCCCCNC(=O)N1CCO[C@H](C)[C@@H]1C	160730101	ZWHYHJNYHNVANT-WDEREUQCSA-N	244.335	1.232	70	20	BDID	
CC(C)CCO[C@@H](C)C(=O)NC[C@@H](C)CCO	160990906	GGZQEMMRDJQCKF-RYUDHWBXSA-N	245.363	1.572	70	20	BDID	
C[C@H](CO)Nc1ccnc(Cc2ccccc2)n1	159519872	OXSBFGQDOLUBRL-LLVKDONJSA-N	243.310	1.860	70	20	BDID	
CCC[C@@H](C)CC(=O)N1CCC[C@@H]1CN	160264792	CMOQDMHTAKUCME-GHMZBOCLSA-N	212.337	1.762	70	20	BDID	
CN1CCCC[C@H]1C(=O)Nc1nccs1	217999913	SVMRVQYSXMJPRC-QMMMGPOBSA-N	225.317	1.566	70	20	BDID	
CC1(NC(=O)c2ccc(F)nc2)CCOCC1	159407790	FHQCOVNUDMDYET-UHFFFAOYSA-N	238.262	1.520	70	20	BDID	
COc1ccc(C(=O)OC(C)C)c(N)c1F	160216692	YUQGDTMGMXLLBI-UHFFFAOYSA-N	227.235	1.982	70	20	BDID	
C[C@]1(NC(=O)c2cccc(F)n2)CCOC1	160754508	NLQPHSFFQGLVCE-NSHDSACASA-N	224.235	1.130	70	20	BDID	
CSCC[C@@H](N)C(=O)NC[C@@H]1CCCS1	160895006	DEQSCBLXRNPKRV-DTWKUNHWSA-N	248.417	1.079	70	20	BDID	
C[C@H]1CC(S(=O)(=O)Cl)C[C@H](C)O1	133631764	OWYMXHGDYQFFQR-WDSKDSINSA-N	212.698	1.511	70	20	BDID	
CN(Cc1cccn1C)C(=O)CC(F)(F)F	160372059	BNRZBRFDAXFMAT-UHFFFAOYSA-N	234.221	1.936	70	20	BDID	
Cc1cc(C(=O)NCc2cc(C)no2)ncn1	160426348	BVMQNUKKFDXZHD-UHFFFAOYSA-N	232.243	1.011	70	20	BDID	
CC[C@@H](C)CN(CC)C(=O)[C@H](C)OC	160812587	UVTYZKHHFMGRLI-ZJUUUORDSA-N	201.310	1.916	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)c1csnn1	159618662	CIIBPBWQNQICHJ-YUMQZZPRSA-N	225.317	1.847	70	20	BDID	
CCSCCN1CCC[C@H](CNC(C)=O)C1	159727303	JZYRQKDODWWZJH-GFCCVEGCSA-N	244.404	1.588	70	20	BDID	
CCc1nc(C(=O)Nc2ccncc2O)co1	159371534	KSDLCRAZDPJBKV-UHFFFAOYSA-N	233.227	1.590	70	20	BDID	
CCc1cc(O)nc(CN2CCC[C@@H](C)C2)n1	160471573	TYTWHOWSCBFWBS-SNVBAGLBSA-N	235.331	1.977	70	20	BDID	
C[C@@H](NCCO)c1ccnc(Cl)c1	159702574	VSEGJAZNSZXHMB-SSDOTTSWSA-N	200.669	1.378	70	20	BDID	
CCOCCCNc1ncccc1OC	160198158	CJDDEDIECDKNJS-UHFFFAOYSA-N	210.277	1.929	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)Cn1cccn1	159820200	UVBQDZUBKHTLSW-WDEREUQCSA-N	221.304	1.578	70	20	BDID	
COCCCN(C)Cc1cc(O)cc(F)c1	159837606	DBPHLACPGHCMIT-UHFFFAOYSA-N	227.279	2.000	70	20	BDID	
CC(C)N(CCN(C)C)C(=O)NC1CC=CC1	159665025	IZGYBKRLEUOMBP-UHFFFAOYSA-N	239.363	1.687	70	20	BDID	
CN(C(=O)N[C@@H]1CCOC1)C1CCCC1	159553928	RJUBJARKWYJGLI-SECBINFHSA-N	212.293	1.359	70	20	BDID	
Cc1occc1C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160071239	PIVNGIMWOGMSFS-PHIMTYICSA-N	234.299	1.555	70	20	BDID	
C[C@H](O)CCNCc1cc(O)cc(F)c1	159604743	IBWUNOMVNBJWNQ-QMMMGPOBSA-N	213.252	1.392	70	20	BDID	
Cc1nn(C)cc1CNc1ncccn1	159736042	DPWCCPLJGVXVKZ-UHFFFAOYSA-N	203.249	1.131	70	20	BDID	
C[C@@H](NC(=O)c1cccc(F)n1)[C@H]1CCOC1	161445579	YOXAXOCMZSVOKG-BDAKNGLRSA-N	238.262	1.376	70	20	BDID	
CC(C)CC(=O)N(CC(N)=O)CC(C)C	159820367	YTKYOLYZLAZMCM-UHFFFAOYSA-N	214.309	1.002	70	20	BDID	
CC(C)c1ccsc1C(=O)N1CCNCC1	159362195	PMMNNCKDLOTIII-UHFFFAOYSA-N	238.356	1.917	70	20	BDID	
O=S(=O)(Cl)[C@@H]1COc2ccccc2C1	306206997	JFGSAXDGDKMXJM-QMMMGPOBSA-N	232.688	1.559	70	20	BDID	
O=C(CC1(O)CCCCC1)N[C@@H]1CCC[C@H]1O	161172126	MDNAHUTZSQSSFM-GHMZBOCLSA-N	241.331	1.101	70	20	BDID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1ccn(C)n1	160180036	PGQYNNZMWXJZRR-KCJUWKMLSA-N	207.277	1.795	70	20	BDID	
CC[C@@H](C)CN(C)C(=O)N[C@@H]1CCOC1	159458086	XTUZFKOZJPIIBT-NXEZZACHSA-N	214.309	1.463	70	20	BDID	
CCS[C@@H]1CCCCN(C(=O)C(C)(C)N)C1	159764275	XRDUDBIADISFND-SNVBAGLBSA-N	244.404	1.858	70	20	BDID	
Cc1cccnc1CNCCCN(C)C	159474547	ANWPPLWWGNMGJM-UHFFFAOYSA-N	207.321	1.431	70	20	BDID	
CC[C@@H](CCO)Nc1nccnc1Cl	218140298	YWVNBOQGPQSWGT-ZETCQYMHSA-N	215.684	1.703	70	20	BDID	
COCn1ncc(Cl)c1S(=O)(=O)Cl	216653155	MCKWJPWHQCVJKG-UHFFFAOYSA-N	245.087	1.068	70	20	BDID	
CS[C@@H](C)CC(=O)NCCn1cccn1	161039771	CPHWLRJKKDCNDR-VIFPVBQESA-N	227.333	1.141	70	20	BDID	
C[C@@]1(Nc2ncnc3c2CCC3)CCOC1	160074983	QTYSNXMSWHXRHK-GFCCVEGCSA-N	219.288	1.556	70	20	BDID	
CC[C@H](N)C(=O)NCc1cc(C(C)C)no1	160149372	YXUUIYFAWIPIBE-VIFPVBQESA-N	225.292	1.152	70	20	BDID	
Cc1nc(COC(=O)[C@@H]2CCOC2)c(C)s1	160774660	NHDAIWOMGFXGHN-SECBINFHSA-N	241.312	1.840	70	20	BDID	
CN(Cc1cccnc1)C(=O)[C@H]1CCCCO1	160956505	LQRLKXBKEUFJKS-GFCCVEGCSA-N	234.299	1.609	70	20	BDID	
Cc1cc(NC(=O)CC(F)(F)F)c[nH]c1=O	159642814	MIHDAOQWTNYQER-UHFFFAOYSA-N	234.177	1.574	70	20	BDID	
C[C@H](NCc1ccc(N(C)C)nc1)[C@@H]1CCCO1	159988477	QIZVJOIYTHSGNR-AAEUAGOBSA-N	249.358	1.805	70	20	BDID	
COc1cccnc1NCCCN(C)C	160197863	GOWMDQKOGSDDOC-UHFFFAOYSA-N	209.293	1.454	70	20	BDID	
CCOCCCC(=O)N(CC)CCCO	160299307	ZTJJYYQZNJXOAY-UHFFFAOYSA-N	217.309	1.034	70	20	BDID	
Cc1cccc(F)c1NC(=O)c1nnc[nH]1	160338048	BSSJFLCWGFREIB-UHFFFAOYSA-N	220.207	1.505	70	20	BDID	
C[C@@H]1CCC[C@@H](N(C)C(=O)[C@H](C)CN)C1	218373694	REYOMXKLGHAXKM-GMTAPVOTSA-N	212.337	1.618	70	20	BDID	
O=S(=O)(NCC1(C2CC2)CC1)C1CC1	160208662	IRTLWOLUIHFUHF-UHFFFAOYSA-N	215.318	1.258	70	20	BDID	
C[C@H](CNc1cc(F)ncn1)N(C)C1CC1	218696963	OIFXTXVPMPSHFS-MRVPVSSYSA-N	224.283	1.510	70	20	BDID	
C[C@]1(C(=O)N2CCCC2)C[C@@H]1Br	141211202	QHHUVBWNQPNCCC-CBAPKCEASA-N	232.121	1.782	70	20	BDID	
CCCNC(=S)N[C@@H]1CCOC(C)(C)C1	159747920	PRYYVSIIZQKDKL-SECBINFHSA-N	230.377	1.818	70	20	BDID	
Cc1ccnc(N2CCC[C@@](C)(O)C2)c1	160840592	SRZRJPHJBKIMFQ-GFCCVEGCSA-N	206.289	1.741	70	20	BDID	
N#Cc1sccc1S(=O)(=O)Cl	306715421	YURSIUBIVFZXCZ-UHFFFAOYSA-N	207.663	1.547	70	20	BDID	
O=c1c2ccccc2cnn1Cc1nccs1	161117815	BTTVYRHVEGOACV-UHFFFAOYSA-N	243.291	1.901	70	20	BDID	
Cc1ccc(CN2CCNC(=O)[C@@H]2C(C)C)nc1	160115649	KVHIMFKKNYCZFJ-ZDUSSCGKSA-N	247.342	1.346	70	20	BDID	
CC[C@@H]1CCCN(C(=O)N[C@H]2CCOC2)CC1	159451075	AJNFUTSOXCGUAX-NEPJUHHUSA-N	240.347	1.997	70	20	BDID	
CN(C(=O)N[C@H]1CCOC1)C1CCCCC1	159546715	ARBVVVUEPNBFHY-JTQLQIEISA-N	226.320	1.749	70	20	BDID	
CCC(=O)N1CC[C@H](N[C@@H](C)c2ccccn2)C1	159385366	GHBNWFKWMJVDAC-RYUDHWBXSA-N	247.342	1.743	70	20	BDID	
CC[C@H](C(N)=O)N(C)OCc1ccccc1	159633451	OQVKKBFLBNUTAC-LLVKDONJSA-N	222.288	1.314	70	20	BDID	
Cc1ccc(NC(=O)c2ccn(C)n2)c(O)c1	218193795	NKXSWKMSZRZFML-UHFFFAOYSA-N	231.255	1.686	70	20	BDID	
O=C(/C=C\c1ccccc1)NC[C@@H]1CCCCN1	217436727	GGMMMPZAECWPDN-CMUBDUJZSA-N	244.338	1.958	70	20	BDID	
CC[C@@H](CCO)NC(=O)CCC(F)(F)F	160115271	LDSGEBNMZKGKNB-ZETCQYMHSA-N	227.226	1.606	70	20	BDID	
CN(C)S(=O)(=O)N1CCC2(CCCC2)CC1	160597555	CRTOFDVMEHBNLQ-UHFFFAOYSA-N	246.376	1.449	70	20	BDID	
Cc1ccc(CN(C)Cc2nncn2C)cc1	160687104	MZEYXLHMVUFVIM-UHFFFAOYSA-N	230.315	1.756	70	20	BDID	
O=S1(=O)CCC2=C1SC=C[C@@H]2Cl	150267479	XSBSOCQQGZJHIY-LURJTMIESA-N	222.718	1.884	70	20	BDID	
Cc1ccc(C[C@@H](C)N(C)C(=O)[C@H](C)N)cc1	161156102	ZWJWHVWYNIBUPQ-NEPJUHHUSA-N	234.343	1.732	70	20	BDID	
C[C@H]1CC[C@H](CC(=O)NCC(C)(C)N)C1	160055472	BGBGNUADFQMMGZ-UWVGGRQHSA-N	212.337	1.666	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)CC1CCC1	160387975	XXBLWPYATVKUSJ-SECBINFHSA-N	227.304	1.635	70	20	BDID	
O=C(C[C@@H]1C=CCC1)NOCc1cccnc1	160840411	OSBTYHMAOKVSLO-LLVKDONJSA-N	232.283	1.986	70	20	BDID	
CCCSCC(=O)N1CCC[C@@H]1CN	160223579	LFTGBGBIUMWIKB-SECBINFHSA-N	216.350	1.079	70	20	BDID	
COCCOCC(C)(C)CS(=O)(=O)Cl	114433379	WJFKVFYXJIEHLN-UHFFFAOYSA-N	244.740	1.244	70	20	BDID	
COCc1ccc(C(=O)N2CCC[C@H]2CN)cc1	160337162	CBYABDMHBCOPRM-ZDUSSCGKSA-N	248.326	1.396	70	20	BDID	
C[C@@H](O)CCN(C)CCCN1CCCCC1	161378480	ZXEIRNWCRVTDGG-CYBMUJFWSA-N	228.380	1.565	70	20	BDID	
C[C@@H]1CC(S(=O)(=O)Cl)C[C@@H](C)O1	133631966	OWYMXHGDYQFFQR-PHDIDXHHSA-N	212.698	1.511	70	20	BDID	
O=S(=O)(Cl)Cc1nccn1C(F)F	157454103	UCSMMMFTWSTLGE-UHFFFAOYSA-N	230.623	1.347	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc[nH]1	160694578	LAZHBDKCXUZXCR-QMMMGPOBSA-N	224.260	1.086	70	20	BDID	
CN(Cc1cccn1C)C(=O)c1cnccn1	160836841	NGHGWJIKIMALRQ-UHFFFAOYSA-N	230.271	1.087	70	20	BDID	
CN1CC[C@H](N(C)OCc2ccccc2)C1=O	159618727	OSQGQEQNDWFCRQ-LBPRGKRZSA-N	234.299	1.281	70	20	BDID	
C/C=C/C=C\C(=O)N(C)CCC(=O)OCC	217377554	LIFQGZNXFGXGOB-AQXDOAQYSA-N	225.288	1.530	70	20	BDID	
Cc1nc(Cl)ccc1C(=O)N(C)C[C@H](C)O	160093558	DCKKCLGORNZPFC-ZETCQYMHSA-N	242.706	1.496	70	20	BDID	
C[C@@H]1CN(CCn2ccnc2)CC(C)(C)O1	161465965	WYZSQRMVXCAGJK-LLVKDONJSA-N	223.320	1.382	70	20	BDID	
C1C[C@@H](CNCC2CCSCC2)CO1	161501249	ROKMEISTYRWRQZ-NSHDSACASA-N	215.362	1.756	70	20	BDID	
C[C@H](NCc1ccon1)c1cscn1	161217988	KRPYHOVWXTUXHR-ZETCQYMHSA-N	209.274	1.982	70	20	BDID	
CC(C)[C@H](CC1CCCC1)C(=O)NCCO	159362345	YXEWVPVNTVLWBM-LBPRGKRZSA-N	227.348	1.947	70	20	BDID	
CCC(=O)Oc1ccc(S(=O)(=O)Cl)cc1	100634892	BNMCQCLCYDDZMQ-UHFFFAOYSA-N	248.687	1.930	70	20	BDID	
CC(C)[C@@H]1C[C@H](S(=O)(=O)Cl)CCO1	112132205	OWBFSTPOQHSMPP-SFYZADRCSA-N	226.725	1.759	70	20	BDID	
CCOCCCN1CCCN(C(=O)CC)CC1	159469304	LLKXHXPZBXAQHB-UHFFFAOYSA-N	242.363	1.357	70	20	BDID	
CC[C@@H]1CN(C(=O)CNC2CC2)CCS1	159623307	HEPHFKVMLFSFJF-SNVBAGLBSA-N	228.361	1.092	70	20	BDID	
Cc1ccnc(N2CCC[C@](C)(O)C2)n1	160847796	QSKOQZOMFKSKOL-NSHDSACASA-N	207.277	1.136	70	20	BDID	
Cn1cnnc1CSc1nc2ccccc2[nH]1	160941957	CEJSFJPLMXVRCC-UHFFFAOYSA-N	245.311	1.984	70	20	BDID	
CCNC(=O)c1cccc(S(=O)(=O)F)c1	1336406656	NIEUNEAWVQRJJB-UHFFFAOYSA-N	231.248	1.095	70	20	BDID	
CCCC[C@@H](CC)CC(=O)NC[C@H](O)COC	159520041	NDPJWANMYXRSEG-NEPJUHHUSA-N	245.363	1.716	70	20	BDID	
CCCN(CC)C(=O)[C@]1(C)CCCCN1	159562080	CEKWLZZSOSOIKL-LBPRGKRZSA-N	212.337	1.777	70	20	BDID	
CC(C)C[C@H]1CCCN(C(=O)[C@@H]2CCNC2)C1	161476235	HVWUPCPVSYFZIA-CHWSQXEVSA-N	238.375	1.881	70	20	BDID	
CC[C@H](C)OCC(=O)N(C)Cc1cscn1	161216948	UVEHRRAHBOEYNJ-VIFPVBQESA-N	242.344	1.917	70	20	BDID	
C[C@H]1CC[C@H](C)N1C(=O)C(=O)c1cnn(C)c1	161493951	SNMVBZJRLAHAOV-IUCAKERBSA-N	235.287	1.002	70	20	BDID	
CCSCCN1CCC[C@@H](CCC(N)=O)C1	160329139	XZUDINRPMABZDX-NSHDSACASA-N	244.404	1.717	70	20	BDID	
CCCC1(CNC(=O)CN2CCCC2=O)CC1	160754499	KWTCTNOYPOZOER-UHFFFAOYSA-N	238.331	1.305	70	20	BDID	
C[C@@H](Cc1cccc(F)c1)C(=O)NCCO	159480935	CDOSRTDQYLWUMM-VIFPVBQESA-N	225.263	1.113	70	20	BDID	
CC[C@H](N[C@@H](C)c1cccc(F)c1F)C(N)=O	159518463	HJFRLQRQTWDVGO-XVKPBYJWSA-N	242.269	1.879	70	20	BDID	
COC(=O)[C@H]1C[C@H]1C(=O)NCC1(C2CC2)CC1	159731162	DKUXKEOUCMLGFS-ZJUUUORDSA-N	237.299	1.102	70	20	BDID	
COC(=O)[C@H](C1CC1)N(C)CCSC	160112744	XGUBPSURYPFVMR-VIFPVBQESA-N	217.334	1.233	70	20	BDID	
Cc1cnc(N[C@H](C)[C@H]2CCOC2)nc1	160431228	VHFUHQREOIQUKX-ZJUUUORDSA-N	207.277	1.622	70	20	BDID	
COc1ccc(S(=O)(=O)Cl)cc1O	104541277	CTMHWFRBUAZCJN-UHFFFAOYSA-N	222.649	1.328	70	20	BDID	
CCCCN(C)C(=O)C(=O)Nc1ccc(C)nc1	160421452	FBTMEBGLYNEDCN-UHFFFAOYSA-N	249.314	1.587	70	20	BDID	
CC(C)(CN)C(=O)NC[C@]1(C)CCCC[C@H]1O	160841313	QFLOTMGHOCXVIK-MFKMUULPSA-N	242.363	1.029	70	20	BDID	
COc1cccc(CN2CC[C@H](O)[C@@H](C)C2)n1	159442298	QVRXHUYZAQXFME-JQWIXIFHSA-N	236.315	1.293	70	20	BDID	
CCCC(=O)N[C@H]1CCc2ccccc2NC1=O	218195328	ZEUIMZWKCDCIFB-LBPRGKRZSA-N	246.310	1.856	70	20	BDID	
CC(C)n1cccc1C(=O)NC[C@H]1CCCO1	160639507	WIARXGCGJRBWKR-LLVKDONJSA-N	236.315	1.978	70	20	BDID	
CN(CC(=O)N1CCCC1)c1ccccc1F	161210059	CDMDOMMNYFJOCG-UHFFFAOYSA-N	236.290	1.884	70	20	BDID	
N[C@H](CCO)c1ccc(O)cc1C(F)(F)F	216898525	MVIFDLKYFGUSNZ-SECBINFHSA-N	235.205	1.793	70	20	BDID	
C[C@@H]1CCC[C@H](CO)N1CCC(C)(C)O	161241945	GCNMWOYLQXCPNM-GHMZBOCLSA-N	215.337	1.383	70	20	BDID	
CCSCCN1CCC[C@H](CCC(N)=O)C1	160329003	XZUDINRPMABZDX-LLVKDONJSA-N	244.404	1.717	70	20	BDID	
COC[C@H](C)NCc1cn2c(C)cccc2n1	160343015	HZAUXSXPBIOTKH-JTQLQIEISA-N	233.315	1.767	70	20	BDID	
COCC(C)(C)NCCCN1CCCCC1	160878211	DLEWVANEQFPVAU-UHFFFAOYSA-N	228.380	1.877	70	20	BDID	
O=C(NCc1ccccc1F)Nc1ncccn1	217313993	ZIEWYWYTQSNFSK-UHFFFAOYSA-N	246.245	1.937	70	20	BDID	
Cc1ccnc(N[C@H](CO)CC(C)(C)C)n1	161422563	JNBIFTIILCGDQC-JTQLQIEISA-N	223.320	1.994	70	20	BDID	
CCN(CC)[C@@H](C)CNC(=O)[C@@H]1CCCCO1	161426653	RMXIJONNITXJHI-RYUDHWBXSA-N	242.363	1.402	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1ccoc1C	160719192	LWMOBPWIFZLZRN-QMMMGPOBSA-N	239.271	1.660	70	20	BDID	
CC(C)N(C)C(=O)Cn1cnc2ccccc21	160866892	VNVAGBUBUYLORX-UHFFFAOYSA-N	231.299	1.903	70	20	BDID	
CN(CCc1ccncc1)C(=O)N[C@@H]1CCOC1	159452226	YZCCKOSGNBMEIP-GFCCVEGCSA-N	249.314	1.054	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)c1ccnn1C	159676400	AJFQWBZJBVYYPY-NXEZZACHSA-N	221.304	1.729	70	20	BDID	
CSCC[C@H](N)C(=O)N[C@H]1CC[C@H](C)CC1	159369750	NVIRFFOSXIHHIR-AXFHLTTASA-N	244.404	1.762	70	20	BDID	
CCC[C@@H]1CNCCN1CCCCOC	159593560	DWWZBMHPDSGVKF-GFCCVEGCSA-N	214.353	1.487	70	20	BDID	
CC(C)n1cccc1C(=O)N[C@H]1CCC[C@@H]1O	159915133	QXOZGJWUCDQGHG-JQWIXIFHSA-N	236.315	1.712	70	20	BDID	
CCC(C)(CC)C(=O)N(C)C[C@H](C)O	159437570	KQAYYXATGFJCAV-VIFPVBQESA-N	201.310	1.652	70	20	BDID	
C[C@H](NC(=O)[C@@]1(C)CCCCN1)C1CC1	159558617	PPBHOKKCAQRIBE-JOYOIKCWSA-N	210.321	1.433	70	20	BDID	
CCc1ncc(CN[C@@]2(C)CCOC2)s1	160194428	FMIIXQAERZAYGZ-NSHDSACASA-N	226.345	1.974	70	20	BDID	
CC(C)(C)[C@H](O)CNC(=O)[C@H]1CCCCO1	160843901	LRBMJTANPZCPTA-NXEZZACHSA-N	229.320	1.079	70	20	BDID	
CCN(Cc1ccccn1)[C@@H]1CCOC1=O	161184102	HWNJHTAPGRVKFM-LLVKDONJSA-N	220.272	1.219	70	20	BDID	
CN(C)CC(=O)Nc1cc(C(C)(C)C)n[nH]1	218197498	USEHTVHAMITHLV-UHFFFAOYSA-N	224.308	1.207	70	20	BDID	
Cc1ncccc1CS(=O)(=O)Cl	156940033	GFDRQBXOKQNNPJ-UHFFFAOYSA-N	205.666	1.459	70	20	BDID	
CCN(C)C(=O)N1CCOc2ccccc2C1	160561533	MTCUUQBXXCPIRC-UHFFFAOYSA-N	234.299	1.953	70	20	BDID	
C[C@@H](N)C(=O)N[C@@H]1CCC[C@@H]1c1ccccc1	159717614	KGYYCANFZYVEPO-RAIGVLPGSA-N	232.327	1.786	70	20	BDID	
CC1(C)CCN(C(=O)N[C@@H]2CCOC2)CC1	159560755	UZWGIXOAQVOHDJ-SNVBAGLBSA-N	226.320	1.607	70	20	BDID	
Cc1cc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)c(C)o1	160358753	CGDNSUMVNMXDPW-TXEJJXNPSA-N	248.326	1.863	70	20	BDID	
OCC1(Nc2nc(C3CC3)ns2)CCC1	161423569	HWRDDLCLONVAOJ-UHFFFAOYSA-N	225.317	1.742	70	20	BDID	
N[C@@H]1CCC[C@@H](NC(=O)C2CCCC2)C1	161396208	XPGAAYDDLOIKAG-GHMZBOCLSA-N	210.321	1.563	70	20	BDID	
COc1ccc(NC(=O)CNCC2CC2)cc1N	161225371	DUIIKBPXJLGUOV-UHFFFAOYSA-N	249.314	1.216	70	20	BDID	
C[C@@]1(c2ccccc2)CCCN(C(=O)CN)C1	160102427	FLEZRIKENQCGIZ-CQSZACIVSA-N	232.327	1.525	70	20	BDID	
CC1CCC(CN2CCC[C@@H]2C(N)=O)CC1	160374897	MFBOJFSUGDXNPC-HTAVTVPLSA-N	224.348	1.762	70	20	BDID	
CC(C)(C)CNC(=O)NCC(C)(F)F	216680530	CDFIEXQATNFKSE-UHFFFAOYSA-N	208.252	1.987	70	20	BDID	
CCC(=O)N[C@H]1CCc2ccccc2NC1=O	218328860	CKSNPQBDRUGTQC-NSHDSACASA-N	232.283	1.466	70	20	BDID	
COc1ccnc(N2CCOC[C@H]2C2CC2)n1	159635025	QNVBDUDSRHJBJR-JTQLQIEISA-N	235.287	1.100	70	20	BDID	
CCc1ncnc(N[C@@H](C)CCO)c1F	159907487	NBQXXUJCHNGCMS-ZETCQYMHSA-N	213.256	1.361	70	20	BDID	
CC[C@@H](CCO)NC(=O)c1ccc(Cl)o1	160134295	ODMJMCVTNHHURL-ZETCQYMHSA-N	231.679	1.824	70	20	BDID	
CNCCNCc1cc(Cl)ccc1F	161233367	DKZZLOPRRNNIFR-UHFFFAOYSA-N	216.687	1.788	70	20	BDID	
Cc1noc(CNC(=O)c2cccc(C)c2F)n1	161485675	CTGTZZLNSIDGME-UHFFFAOYSA-N	249.245	1.756	70	20	BDID	
CC[C@]1(C)C[C@H]1C(=O)NCC(=O)NC(C)C	160138811	NCTWHPBYWYPVOY-JOYOIKCWSA-N	226.320	1.063	70	20	BDID	
C[C@H](CO)SCC(=O)c1cccn1C	160720543	UEYNQNXGBPTMIC-MRVPVSSYSA-N	213.302	1.322	70	20	BDID	
C[C@]1(CNC(=O)N[C@H]2CCOC2)CCCS1	159428289	WEESLASUKLKGMY-GXSJLCMTSA-N	244.360	1.360	70	20	BDID	
CCc1cc(C(=O)NCC2(C3CC3)CC2)[nH]n1	159735690	ZUNBGHKZCGKPRV-UHFFFAOYSA-N	233.315	1.892	70	20	BDID	
CC[C@H](CCO)N[C@@H]1CCOC(C)(C)C1	217708600	RWHHYXFSSYLEGF-GHMZBOCLSA-N	215.337	1.695	70	20	BDID	
S=C(Nc1ccccc1)N[C@H]1CCOC1	159582639	SYRCNMLXMIKWJI-JTQLQIEISA-N	222.313	1.762	70	20	BDID	
Cc1cc(N2CCC[C@@](C)(O)C2)ncn1	160848877	WMZOKBUHCGPJKZ-LLVKDONJSA-N	207.277	1.136	70	20	BDID	
CCc1nnc(SCc2ccnn2C)[nH]1	161317363	RZECTJKIYORBFH-UHFFFAOYSA-N	223.305	1.393	70	20	BDID	
C[C@@H](N)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21	161394427	XYZZASBPRKZXDO-MWLCHTKSSA-N	248.326	1.752	70	20	BDID	
Cc1ccc(C(=O)N2[C@H](C)CC[C@H]2C)c(=O)[nH]1	161471112	SRPIEGZJXOPQDF-NXEZZACHSA-N	234.299	1.696	70	20	BDID	
C[C@H](N)C(=O)N1C[C@@H](c2ccccc2)C[C@H]1C	160902268	ZRXMOHLCBMEDHS-MDZLAQPJSA-N	232.327	1.738	70	20	BDID	
CCc1cc(N(C)[C@H](C)CO)nc(C)n1	159602135	HQQSKKUTYNRYSQ-MRVPVSSYSA-N	209.293	1.164	70	20	BDID	
CCc1ncnc(N[C@H](C)CCO)c1F	159907609	NBQXXUJCHNGCMS-SSDOTTSWSA-N	213.256	1.361	70	20	BDID	
COC[C@H](N[C@@H]1CCC[C@@H](N(C)C)C1)C1CC1	161142123	RCPNUVYNUGJKRI-MCIONIFRSA-N	240.391	1.874	70	20	BDID	
CC(C)[C@H](Cc1ccc(F)cc1)NCCN	218280462	VSOYXVBPPNVRLG-ZDUSSCGKSA-N	224.323	1.941	70	20	BDID	
CS[C@@H](C)CNC(=S)NC(C)C	159577356	HCDUTZKXMYPAEZ-ZETCQYMHSA-N	206.380	1.610	70	20	BDID	
COc1cccnc1NC[C@H](C)CCO	160247995	KMXMFYBNIQBZEX-SECBINFHSA-N	210.277	1.521	70	20	BDID	
Cc1nn(C)c(C)c1CN(C)C[C@@H]1CCOC1	161057396	FVEUJQKTGJNXQE-LBPRGKRZSA-N	237.347	1.505	70	20	BDID	
CCCCCCC(=O)NC1(CO)CCC1	161107670	XVUCZFHRGYBJHU-UHFFFAOYSA-N	213.321	1.988	70	20	BDID	
CC(=O)[C@]1(CCS(=O)(=O)F)CCCC1=O	883954391	LIPKOMJLKIXDMF-SECBINFHSA-N	236.264	1.004	70	20	BDID	
Nc1ccc(Cl)c(S(=O)(=O)F)c1	168096855	RORVILHPWPCHBD-UHFFFAOYSA-N	209.629	1.580	70	20	BDID	
C[C@@H](N)C(=O)NCC(C)(C)Cc1ccccc1	161075633	LNBZNRVKCPZCMS-LLVKDONJSA-N	234.343	1.719	70	20	BDID	
CS[C@H](C)CNC(=O)NC[C@H]1CCCS1	160179393	KZDCFINKOXUAIJ-RKDXNWHRSA-N	248.417	1.933	70	20	BDID	
CC[C@H](C)c1cc(C(=O)N(C)[C@@H](C)CO)on1	160453374	PYNMQTNQBLKQIP-IUCAKERBSA-N	240.303	1.641	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(=O)n(C)n1	159578946	ARZVGLKKSSEDRH-ZJUUUORDSA-N	249.314	1.089	70	20	BDID	
O=C([C@@H]1CSCN1)N1CCC2(CCC2)C1	160619758	KIPLQNBJWWFTIW-VIFPVBQESA-N	226.345	1.052	70	20	BDID	
CCC[C@@H](C)C(=O)NC(C)(C)CCO	160779438	PATJVTDNYSFSDD-SECBINFHSA-N	201.310	1.700	70	20	BDID	
C[C@H](CO)N(C)C(=O)c1noc2c1CCCC2	160566562	JEOXMDSRMNQXQI-MRVPVSSYSA-N	238.287	1.006	70	20	BDID	
CCNC(=O)N1CCO[C@@](C)(c2ccccc2)C1	160190799	GAIQLYWCSAMIFL-CQSZACIVSA-N	248.326	1.964	70	20	BDID	
O=S(=O)(CCCF)NCC1(C2CC2)CC1	160209664	FEOXRMMKKJXBGQ-UHFFFAOYSA-N	235.324	1.456	70	20	BDID	
Cc1ccccc1[C@@H]1C[C@H]1NC(=O)C(C)(C)CN	160650475	XBKZMIUWQHNBPW-QWHCGFSZSA-N	246.354	1.952	70	20	BDID	
COc1ccc(NC(=O)[C@H](C)SC)cc1N	160999831	HNYDUKIHLGOLNA-ZETCQYMHSA-N	240.328	1.967	70	20	BDID	
CC(C)(C)NCCN1CC[C@H](CCO)C1	159765243	CTPJBYHTMHUJMA-LLVKDONJSA-N	214.353	1.079	70	20	BDID	
CC(C)=CC(=O)NC[C@@H](O)c1ccsc1	159562549	KHBQUDVAHAXLFD-SNVBAGLBSA-N	225.313	1.864	70	20	BDID	
CC[C@H](C)OCC(=O)N(CC)CCC(=O)OC	159960041	YLRVFBXSBKPNEI-JTQLQIEISA-N	245.319	1.213	70	20	BDID	
CSCC[C@@H](N)C(=O)N1CCC2(CCC2)C1	160627228	HNBBYNZYZDBCJV-SNVBAGLBSA-N	242.388	1.469	70	20	BDID	
CCC(CC)CC(=O)NCC[C@H](O)COC	160973520	CBRJSYOKIMSRKJ-NSHDSACASA-N	231.336	1.326	70	20	BDID	
Oc1cc(F)cc(CN[C@@H]2CCCOC2)c1	159601739	HSZXGLSNZOTNEJ-LLVKDONJSA-N	225.263	1.800	70	20	BDID	
C[C@@H](NCCC(=O)N(C)C)c1cscn1	161180850	KOWMPEZFSDGJTJ-MRVPVSSYSA-N	227.333	1.272	70	20	BDID	
CNC[C@@H]1CCCN1C(=O)c1cc[nH]c1C	161358137	KDOJYKMMZXELOS-JTQLQIEISA-N	221.304	1.147	70	20	BDID	
CCNC(=O)Nc1cc(C(=O)OC)cs1	160846438	NOHCMDRDCBUHHE-UHFFFAOYSA-N	228.273	1.676	70	20	BDID	
C[C@@H](CC(=O)N1CCC[C@@H](O)C1)c1ccncc1	159822403	SJBPVVVDSOGBMK-WCQYABFASA-N	248.326	1.559	70	20	BDID	
CN(Cc1ccccn1)C(=O)N[C@H]1CCOC1	159473236	DTIRIGKWAKGJNJ-NSHDSACASA-N	235.287	1.012	70	20	BDID	
CCN1CCC[C@H]1CNC(=O)c1[nH]c(C)cc1C	159575728	WZNDIWYZIZSWDC-LBPRGKRZSA-N	249.358	1.846	70	20	BDID	
CCCCCN1C(=O)[C@H]2CCCN2C1=O	159600460	XRFOTZJUGGFPRY-SECBINFHSA-N	210.277	1.603	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)CC[C@@H]1CCOC1	160934737	VUKSVWYDIFJTHZ-NEPJUHHUSA-N	243.347	1.326	70	20	BDID	
Cc1c(CS(=O)(=O)Cl)nnn1C(C)C	216995607	YGCKZFBLHCLBDL-UHFFFAOYSA-N	237.712	1.236	70	20	BDID	
CC1=CCN(C(=O)N[C@H]2CCOC2)CC1	160220747	SOFQASRLAPQGMA-JTQLQIEISA-N	210.277	1.137	70	20	BDID	
COCCC1(CNC(=O)C(C)(C)COC)CC1	160363565	CBHBSZZUHXWERA-UHFFFAOYSA-N	243.347	1.592	70	20	BDID	
CC1(C)CN(C(=O)N[C@H]2CCOC2)CCS1	159456298	DSXDWVMJAIJDIP-VIFPVBQESA-N	244.360	1.312	70	20	BDID	
O=C(NCc1cccs1)[C@@H]1CCCCO1	159747231	UOMRFJBBLDTBTJ-JTQLQIEISA-N	225.313	1.933	70	20	BDID	
O=S(=O)(Cl)CCCCOCC1CC1	114258002	QIXWCDIALFLYRD-UHFFFAOYSA-N	226.725	1.762	70	20	BDID	
O[C@@H](C1CCN(CCCF)CC1)C(F)(F)F	161205236	LJTGSLQIJTWJPB-VIFPVBQESA-N	243.244	1.981	70	20	BDID	
CN(CC1CCC1)C(=O)N[C@@H]1CCOC1	159458632	WAZJPWPESLCVMW-SNVBAGLBSA-N	212.293	1.217	70	20	BDID	
CCC[C@@H](C)CC(=O)N(CC(N)=O)CC(C)C	159667115	PFCPXNWIUSORMS-LLVKDONJSA-N	242.363	1.783	70	20	BDID	
CC[C@H](CCO)NCc1cncn1CC	217690977	GTBBEFOHJCJQKY-SNVBAGLBSA-N	211.309	1.154	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(=O)[nH]n1	159607986	CWTPRFZKCBGZTQ-RKDXNWHRSA-N	235.287	1.078	70	20	BDID	
C[C@H]1CCC[C@@H](N(C)Cc2nncn2C)C1	160776498	CUPNGMCIKXFNBR-WDEREUQCSA-N	222.336	1.826	70	20	BDID	
COc1ccc([C@H](N)C(C)=O)cc1OC	216726191	MBFVLUJIYXGBFI-LLVKDONJSA-N	209.245	1.293	70	20	BDID	
Cc1cc(C(=O)NCC2(C3CC3)CC2)[nH]n1	160234429	OCJOKRATKZSOSG-UHFFFAOYSA-N	219.288	1.638	70	20	BDID	
COCC(C)(C)C(=O)N1CCC[C@@H]([C@@H](C)O)C1	160963808	LKTFWUFJOLQWBD-GHMZBOCLSA-N	243.347	1.278	70	20	BDID	
Cc1ccccc1NC(=O)N[C@@H]1CCOC1	159389074	JBULNXINNVIRFJ-SNVBAGLBSA-N	220.272	1.905	70	20	BDID	
CCOCCCN[C@@H]1C[C@@H](O)C1(C)C	159546870	QVACMXGTVBHBKW-NXEZZACHSA-N	201.310	1.162	70	20	BDID	
CCN(CCCO)C(=O)C[C@H]1C=CCC1	160301339	UOVGKOCRXOQWDV-NSHDSACASA-N	211.305	1.574	70	20	BDID	
O=C(NCc1ccoc1)c1ccncc1F	161403740	XKLGJIIQCFHNRS-UHFFFAOYSA-N	220.203	1.744	70	20	BDID	
COC[C@H](CS(=O)(=O)Cl)C(C)C	114434573	RAXOROSRKMZHLY-SSDOTTSWSA-N	214.714	1.474	70	20	BDID	
C[C@H](CO)N(C)C(=O)CCC(=O)c1ccccc1	160394946	MPUQHXAUUZEFRN-LLVKDONJSA-N	249.310	1.489	70	20	BDID	
C[C@H](NC(=O)CCN)[C@H](C)c1ccccc1	160890048	KCLQCMDUKQWTLT-QWRGUYRKSA-N	220.316	1.644	70	20	BDID	
Cc1cc(NC(=O)C2(C)CC2)c[nH]c1=O	159488628	LPFHVFCSXKJVOK-UHFFFAOYSA-N	206.245	1.422	70	20	BDID	
CCN1CCN(C(=S)NC(C)C)C[C@@H]1C	159745825	SSJXCVDHJMQRNM-JTQLQIEISA-N	229.393	1.295	70	20	BDID	
c1nc2c(n1C[C@H]1CCCO1)CCCC2	160719871	QQCKWPDGFZSBTJ-SNVBAGLBSA-N	206.289	1.941	70	20	BDID	
C[C@@H](NC(=O)[C@@H]1CCCCO1)c1cccnc1	161057885	SKFLQXJGBNXZPU-PWSUYJOCSA-N	234.299	1.828	70	20	BDID	
CC[C@H](C)CS(=O)(=O)Oc1cccnc1F	161115482	CKOGEATXUUNMMD-QMMMGPOBSA-N	247.291	1.975	70	20	BDID	
C[C@H](Cc1cccc(F)c1)C(=O)NCCCN	160103453	IVJLCYHESGOWCO-SNVBAGLBSA-N	238.306	1.469	70	20	BDID	
CCCCO[C@H](C)C(=O)N1CC[C@@H](NC)C1	160756788	NJFRISGUEZJDJY-GHMZBOCLSA-N	228.336	1.012	70	20	BDID	
COc1cc(CC(=O)NCCCN)ccc1C	160051339	KPJCEQUBMQQFQB-UHFFFAOYSA-N	236.315	1.011	70	20	BDID	
NCCCCNCc1cc(O)cc(F)c1	159593265	UDXAJJIXANZBPZ-UHFFFAOYSA-N	212.268	1.360	70	20	BDID	
CC(C)=CC(=O)NC[C@H](O)c1ccsc1	159562404	KHBQUDVAHAXLFD-JTQLQIEISA-N	225.313	1.864	70	20	BDID	
Cc1nn(C)cc1CNC[C@@H](C)C1CC1	160141854	XJQMWAUXZJORID-SECBINFHSA-N	207.321	1.864	70	20	BDID	
C[C@@H](N)C(=O)Nc1cc(CC(C)(C)C)n[nH]1	161048491	PLVOWHBZIFBQMF-SSDOTTSWSA-N	224.308	1.284	70	20	BDID	
CC[C@H](CC(=O)NCC[C@@H](O)COC)C(C)C	161100207	VWMLYIKAQGYYTM-VXGBXAGGSA-N	245.363	1.572	70	20	BDID	
COC[C@H](NC(=O)C(C)(C)COC)C1CC1	161286577	CESGFJHAKKUBGO-JTQLQIEISA-N	229.320	1.200	70	20	BDID	
COc1ncccc1CS[C@@H](C)CO	160832818	OSLIIXYIKDOTSY-QMMMGPOBSA-N	213.302	1.704	70	20	BDID	
CSCC[C@H](C)NC(=O)N[C@@H]1CCOC1	159411608	BNFZPEJURIFBGY-DTWKUNHWSA-N	232.349	1.216	70	20	BDID	
CC1(C)CCC[C@@H]1NC(=O)N[C@H]1CCOC1	159419833	KHNJQCIMCGEMFJ-UWVGGRQHSA-N	226.320	1.653	70	20	BDID	
COCCN(C)CCN[C@@H](C)C(C)(C)C	159402206	WAPYZLOESWOKPR-NSHDSACASA-N	216.369	1.589	70	20	BDID	
CC(C)NC(=O)Cn1nc(C2CC2)nc1C1CC1	161480468	FFJCNAGRWARXHX-UHFFFAOYSA-N	248.330	1.558	70	20	BDID	
C[S@@](=O)c1ccc(NC(=O)CCl)cc1	59496552	YBERWXRJIKDTPE-AWEZNQCLSA-N	231.704	1.601	70	20	BDID	
CC[C@@H](CCO)N[C@@H](C)c1ccncc1	161236079	YEUCGRKRECHZLB-JQWIXIFHSA-N	208.305	1.893	70	20	BDID	
Cc1cccn(Cc2nnc3n2CCCC3)c1=O	217323166	BINZXWBFZMCMEY-UHFFFAOYSA-N	244.298	1.133	70	20	BDID	
N[C@H](Cc1ccccc1)C(=O)NCC1(CO)CCCC1	160178454	PSQJGXQYZOMLFH-APPZFPTMSA-N	276.380	1.225	70	20	BDID	
CC[C@H](NC(=O)[C@H](C)N)c1ccc(F)cc1F	161207561	FWRSEFDNPCSJAO-CPCISQLKSA-N	242.269	1.879	70	20	BDID	
CC[C@H](c1ccncc1)N(CC)C(N)=O	160827155	NFPJCXLZFLBPMU-SNVBAGLBSA-N	207.277	1.933	70	20	BDID	
O=C(Cc1cn2ccccc2n1)NC1CC=CC1	160851659	FMZMLJGKLKDCKJ-UHFFFAOYSA-N	241.294	1.712	70	20	BDID	
O=C(CCOC1CCOCC1)NC1CC=CC1	160926414	BXWKRGFKRUJCMK-UHFFFAOYSA-N	239.315	1.407	70	20	BDID	
O=C(NCCOc1ccccc1)[C@@H]1CCCCO1	159902581	AQVDEZGZCAZNSQ-ZDUSSCGKSA-N	249.310	1.751	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)c1cnns1	159555026	MPRNFHXFPUYMHH-JGVFFNPUSA-N	225.317	1.847	70	20	BDID	
CC[C@H](C)N(C)CCNc1cc(F)ncn1	218772999	VJBAYONQSHWUFV-VIFPVBQESA-N	226.299	1.758	70	20	BDID	
C[C@H](N)C(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C	159877172	XPAVXCNADTUMIC-YTWAJWBKSA-N	210.321	1.513	70	20	BDID	
C1CN(CCSCC2CC2)CCO1	159849810	KRAPWAFTQMNUHN-UHFFFAOYSA-N	201.335	1.462	70	20	BDID	
COC(=O)[C@@H](C)NC(=O)C1CCC(C)(C)CC1	161241278	PDYCWCUFNILMNG-SECBINFHSA-N	241.331	1.881	70	20	BDID	
CCC(C)(C)NC(=O)N[C@@H]1CCOC1	159554726	QFTTZXSAQXMAMY-MRVPVSSYSA-N	200.282	1.263	70	20	BDID	
C[C@@H](CCc1ccco1)NC(=O)C(F)F	218049180	PTCRWWPQUQSPMD-ZETCQYMHSA-N	217.215	1.982	70	20	BDID	
Cn1nccc1CSc1nnc(C2CC2)[nH]1	161323901	NZIOXHDCVWCESB-UHFFFAOYSA-N	235.316	1.708	70	20	BDID	
CCN(CC)CCNC(=O)N[C@H]1C=CCCC1	161479544	WBKIZEOJCOTLRS-LBPRGKRZSA-N	239.363	1.736	70	20	BDID	
CCN(C(=O)c1cccc(=O)n1C)C(C)C	160575300	WXACOOXHWMEHPU-UHFFFAOYSA-N	222.288	1.256	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)Cc1cc(C)[nH]n1	159704974	LEMILMURLJDYQB-PWSUYJOCSA-N	235.331	1.956	70	20	BDID	
C[C@H](CCn1cccn1)NC1(CO)CCCC1	159380523	PZSBNVCPTFLZPM-GFCCVEGCSA-N	237.347	1.556	70	20	BDID	
CN[C@@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C	217597665	YLDCMDHQRJBMDD-VPOLOUISSA-N	212.337	1.535	70	20	BDID	
C[C@H](O)CC(C)(C)CNC(=O)CC1(N)CCC1	160951330	LTKAGAYFUYWSRG-JTQLQIEISA-N	242.363	1.171	70	20	BDID	
Cc1cc(F)ccc1C(=O)N[C@H]1CCC[C@@H]1O	159451321	OUXAHJDBEIJHRK-RYUDHWBXSA-N	237.274	1.777	70	20	BDID	
C[C@@H](NCc1nccn1C)c1cscn1	161184310	XMYFMXWLLWSKSX-MRVPVSSYSA-N	222.317	1.727	70	20	BDID	
CN(Cc1cccn1C)C(=O)c1ccco1	160668351	GMKOKXNFZAFOBL-UHFFFAOYSA-N	218.256	1.890	70	20	BDID	
CC(C)(C)NCCNCC1CCOCC1	161449928	VXAKXSMJDTWFPU-UHFFFAOYSA-N	214.353	1.391	70	20	BDID	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1c[nH]nn1)C2	217831045	SJHFKURWEUDNAU-FWDPORAESA-N	248.330	1.749	70	20	BDID	
CC[C@]1(C)C[C@H]1C(=O)NCCNC(=O)C1CC1	159780378	GUVFFELQESMAPP-GXFFZTMASA-N	238.331	1.065	70	20	BDID	
O=S(=O)(Cl)c1c(O)ccc(F)c1F	238854750	PDGLPMPRMGEQPQ-UHFFFAOYSA-N	228.603	1.598	70	20	BDID	
CC(C)OCC(=O)Nc1ccc(N)nc1	161103295	SWRWOVJGXDKMND-UHFFFAOYSA-N	209.249	1.027	70	20	BDID	
Cc1cc(C(=O)N[C@H](C)c2cccnc2)ncn1	161268717	BYRYFQSJSHUUTR-SNVBAGLBSA-N	242.282	1.671	70	20	BDID	
CCc1nc(CN(C)[C@H](C)c2ccncc2)n[nH]1	159613812	BVNRQVAVFVLEOU-SNVBAGLBSA-N	245.330	1.955	70	20	BDID	
CCc1ncsc1C(=O)NCc1ncc[nH]1	159744596	NHZCRLSJZRXKQI-UHFFFAOYSA-N	236.300	1.359	70	20	BDID	
Nc1ccc([B-](F)(F)F)cc1[N+](=O)[O-]	1857776899	FEZVMIRMLZECAH-UHFFFAOYSA-N	204.924	1.231	70	20	BDID	
CC(C)[C@H](Cc1ccccc1)NCCN	218278193	WGWKINNTZBDCIL-ZDUSSCGKSA-N	206.333	1.802	70	20	BDID	
CNc1cc(NCC(C)(C)OC)ncn1	159421725	FBCZLONUQSBJOT-UHFFFAOYSA-N	210.281	1.355	70	20	BDID	
S=C(NC[C@@H]1CCCCO1)NC1CCCC1	160435764	WMXSACOOXDEWLE-NSHDSACASA-N	242.388	1.962	70	20	BDID	
CCCNCCNCc1ccc(F)cc1	161332464	IXOQGVBSOPOHBA-UHFFFAOYSA-N	210.296	1.915	70	20	BDID	
Cn1ccc(CN2CCC(CC(N)=O)CC2)c1	159762508	KYSXGAQSDZPQOX-UHFFFAOYSA-N	235.331	1.113	70	20	BDID	
CC(C)OC(=O)c1cccc(-n2ccnn2)c1	159773046	TTWHHVWHURLOCX-UHFFFAOYSA-N	231.255	1.833	70	20	BDID	
CC[C@H](CSC)Nc1nccn(C)c1=O	217384069	LWNLYLGRFCFXGG-MRVPVSSYSA-N	227.333	1.334	70	20	BDID	
CCOC(C)(C)CNC(=O)c1ncccc1O	159489966	VAMHTGDXUPUYBC-UHFFFAOYSA-N	238.287	1.332	70	20	BDID	
C[C@@H]1SCCN(C(=O)CNC2CC2)[C@H]1C	159622959	CZLBZAAEPVJGNL-IUCAKERBSA-N	228.361	1.091	70	20	BDID	
CC(C)NC(=S)N[C@H]1CCOC(C)(C)C1	159748298	UEGMDAYABWICCS-VIFPVBQESA-N	230.377	1.817	70	20	BDID	
COC[C@@H](O)CCNC(=O)CCCCSC	160865348	QFVNMMCKUVZHLN-JTQLQIEISA-N	249.376	1.033	70	20	BDID	
C[C@H]1CCN(C(=O)c2ccncc2F)C1	161429398	MYUWHTDRGOJWLI-QMMMGPOBSA-N	208.236	1.703	70	20	BDID	
CC[C@@H](C)OCC(=O)N1C[C@H](C)OC(C)(C)C1	161467536	DSAVDIAHFOJCEZ-MNOVXSKESA-N	243.347	1.827	70	20	BDID	
CCN(C(=O)c1cccc(=O)n1C)C1CCCC1	159915360	WQVVHSNEUSNAAR-UHFFFAOYSA-N	248.326	1.790	70	20	BDID	
CCc1ncnc(N[C@H]2CCOC2)c1F	218078222	COTXIOJPIWBJEJ-ZETCQYMHSA-N	211.240	1.379	70	20	BDID	
COc1cccnc1NCc1ccnn1C	159445722	JVVBMSYNDDPRIQ-UHFFFAOYSA-N	218.260	1.436	70	20	BDID	
CCOCCCN1CC[C@@H](N2CCCC2)C1	160338813	CSWFSTUTJOJDTN-CYBMUJFWSA-N	226.364	1.583	70	20	BDID	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)[C@H](C)CN	218356438	KTINWXHFLIRICS-CHWFTXMASA-N	212.337	1.522	70	20	BDID	
COC[C@@H](C)C(=O)N[C@H](C)Cc1cc(C)[nH]n1	161288514	ARUHKDBDCILCCA-RKDXNWHRSA-N	239.319	1.048	70	20	BDID	
Cc1cc(N[C@]2(C)CCOC2)n2ncnc2n1	160006087	DBWOKVDWTWAUMO-LLVKDONJSA-N	233.275	1.024	70	20	BDID	
Cc1cnc(NC(=O)N[C@@H]2CCOC2)s1	159397284	ROXQJCVBTDDIHR-SSDOTTSWSA-N	227.289	1.362	70	20	BDID	
CCc1ncnc(N[C@@]2(C)CCOC2)c1F	218083813	PVNJIVKJNKKUHP-NSHDSACASA-N	225.267	1.769	70	20	BDID	
COC[C@H](C)NC(=S)NC[C@H](C)SC	159575861	PCXVOAXFYGVOGQ-YUMQZZPRSA-N	236.406	1.237	70	20	BDID	
O=S(=O)(Cl)C[C@@H]1COc2ccccc21	117913453	SSAWWOIBZKEPHO-ZETCQYMHSA-N	232.688	1.731	70	20	BDID	
CCOc1cccc(CN2CCC[C@@H]2C(N)=O)c1	160306028	IHCJGHFTAAMXHK-CYBMUJFWSA-N	248.326	1.535	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1cc[nH]c1C	160507572	IQJNOYNKKIPNFO-QMMMGPOBSA-N	238.287	1.395	70	20	BDID	
CSCCCSCCN1CCOCC1	159883465	ZRUFDVFOHFGFCH-UHFFFAOYSA-N	235.418	1.805	70	20	BDID	
O=S(=O)(Cl)c1cnc2n1CCCCCC2	536950650	QNVLESGPGHRTDX-UHFFFAOYSA-N	248.735	1.927	70	20	BDID	
CC[C@H](C)[C@H](O)CNC(=O)[C@@H]1CCCCO1	161051620	LFJPLPXFFSQULG-AXFHLTTASA-N	229.320	1.079	70	20	BDID	
COC(=O)C[C@@H](C)SCc1ccnn1C	161384736	HZRGWBDNRQRDEU-MRVPVSSYSA-N	228.317	1.605	70	20	BDID	
Cn1nccc1Cn1cnc2ccccc2c1=O	161205147	JJJNQFZULMOTBV-UHFFFAOYSA-N	240.266	1.178	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)[C@@H](C(C)C)N(C)C	160793079	FGOULWFDZZDYNL-NWDGAFQWSA-N	244.379	1.096	70	20	BDID	
CCOCCCN1CCOCC1(C)C	159521913	QZWDUHVAXFQHSW-UHFFFAOYSA-N	201.310	1.524	70	20	BDID	
CCSCC[C@@H](C)NC(=O)N[C@H]1CCOC1	159417392	XZTMYVWHACCLIJ-ZJUUUORDSA-N	246.376	1.606	70	20	BDID	
CN(CCC(F)(F)F)C(=O)N[C@@H]1CCOC1	159447073	MXTDIISOGQLIRD-SSDOTTSWSA-N	240.225	1.369	70	20	BDID	
CC[C@H](C)OCC(=O)NC[C@H](C1CC1)N(C)C	159577060	NNSVDRRVGVFRQY-CMPLNLGQSA-N	242.363	1.258	70	20	BDID	
CCOC[C@@H](O)CN[C@@H](CC)CSC	217330059	OXPKMETULFJWHK-UWVGGRQHSA-N	221.366	1.115	70	20	BDID	
CC[C@@]1(C)CCCN(C(=O)CCCN)C1	160779118	QENZXSFKUJECPO-LBPRGKRZSA-N	212.337	1.764	70	20	BDID	
O=S(=O)(F)c1ccc(-c2csnn2)cc1	675066176	INNBJPIRVMHJKZ-UHFFFAOYSA-N	244.272	1.863	70	20	BDID	
COCCSCCCCS(C)(=O)=O	160917457	CFAKKTHKIVNQAT-UHFFFAOYSA-N	226.363	1.191	70	20	BDID	
CC1(C(=O)NS(=O)(=O)c2ccsc2)CC1	159743616	QELVJTZPCMSTOI-UHFFFAOYSA-N	245.325	1.353	70	20	BDID	
Cc1cc(C(=O)N[C@@H](C)c2cccnc2)ncn1	161268576	BYRYFQSJSHUUTR-JTQLQIEISA-N	242.282	1.671	70	20	BDID	
Cc1cc(C[C@@H](C)NC(=O)CC2CCC2)n[nH]1	161241059	VASOXYVDKANPRH-SECBINFHSA-N	235.331	1.956	70	20	BDID	
CCCCn1c(-c2cccnc2)noc1=O	161320185	PCGFNFDRDRLAQC-UHFFFAOYSA-N	219.244	1.698	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)CN1CCCC1=O	159828634	DTMCIHIKEUVWEG-GHMZBOCLSA-N	238.331	1.304	70	20	BDID	
COc1cccc(CNC(=O)[C@H]2CCCCO2)c1	159713587	ZEAJOUBXNOYKER-CYBMUJFWSA-N	249.310	1.881	70	20	BDID	
CCOC(C)(C)CNc1ccc(C(N)=O)cn1	159526429	FCQIRRRLUQQUEV-UHFFFAOYSA-N	237.303	1.408	70	20	BDID	
Cc1nsc(NC(=O)c2cccc(F)n2)n1	160739155	LRFAZNNAPULTCN-UHFFFAOYSA-N	238.247	1.633	70	20	BDID	
CCCCS(=O)(=O)Cc1nccn1C	161188626	CIHDAGJFDUQTMZ-UHFFFAOYSA-N	216.306	1.135	70	20	BDID	
CO[C@@H]1C[C@@H](S(=O)(=O)Cl)C12CCC2	306417795	YYBUSZVHLQZHAA-RNFRBKRXSA-N	224.709	1.513	70	20	BDID	
O=C(NCC1CCCC1)Nc1ncccn1	217568582	QECJQLBZKBMSPM-UHFFFAOYSA-N	220.276	1.788	70	20	BDID	
CCCC[C@H](C(=O)OC)N(C)C[C@@H](C)O	159536958	ATILRYWCNXBGFS-NXEZZACHSA-N	217.309	1.031	70	20	BDID	
CC[C@@H](COC)NCCN(C)[C@@H](C)CC	160143190	IWYNZADUGIKWQQ-RYUDHWBXSA-N	216.369	1.731	70	20	BDID	
CN(CC1CCOCC1)C(=O)NC1CCC1	161053681	NPWPJCUVKGLZFN-UHFFFAOYSA-N	226.320	1.607	70	20	BDID	
Cc1ccc(NC(=O)[C@H]2CCCCO2)nc1	160091381	HYEDSHDBDVDAGK-SNVBAGLBSA-N	220.272	1.898	70	20	BDID	
O=C1CN(Cc2cc(F)c(F)c(F)c2)CCN1	160501186	QNNWIMBDXCLRPY-UHFFFAOYSA-N	244.216	1.036	70	20	BDID	
CCCCN(CCCO)Cc1n[nH]c(CC)n1	160529936	NBXRSYMUFWWDJD-UHFFFAOYSA-N	240.351	1.352	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)C1(C)CC1	160588275	HUOYHBTVGYSMSD-QMMMGPOBSA-N	213.277	1.244	70	20	BDID	
CCOCCNC(=O)c1c(F)cc(F)cc1F	160903381	WJKVBUMJDFBWDN-UHFFFAOYSA-N	247.216	1.870	70	20	BDID	
Cc1ncoc1C(=O)NCC(=O)C(C)(C)C	159462715	VWBJUCPYOYEBAO-UHFFFAOYSA-N	224.260	1.328	70	20	BDID	
C[C@H]1C[C@@H](C)CN(C(=O)N[C@@H]2CCOC2)C1	159568681	MBDMONWYKAPHFG-OUAUKWLOSA-N	226.320	1.463	70	20	BDID	
CCC[C@@H](C)C(=O)NC[C@](C)(O)CSC	217656436	BPAAQPPIZNLHHL-KOLCDFICSA-N	233.377	1.653	70	20	BDID	
N[C@@H]1CCC[C@@H](NC(=O)COc2ccccc2)C1	160967775	GYIYNMIXDXBMPL-VXGBXAGGSA-N	248.326	1.452	70	20	BDID	
CCN(CCCO)C(=O)[C@@H](C)C(C)C	160304303	ZRVQNVFYMVLOHS-JTQLQIEISA-N	201.310	1.509	70	20	BDID	
C1CC[C@@H](CN2CCC3(C2)OCCO3)OC1	160643026	NRFXNSCFMGWBCJ-NSHDSACASA-N	227.304	1.004	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)CCc1ccoc1	161112528	MLONYHQBILAOBR-LBPRGKRZSA-N	239.315	1.735	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)CCc1nnc[nH]1	159833190	MGKDCMUNBCYNNW-UWVGGRQHSA-N	236.319	1.432	70	20	BDID	
CCC(C)(CC)C(=O)Nc1ncnn1C	159471025	UCUMIEVQCHDDPH-UHFFFAOYSA-N	210.281	1.580	70	20	BDID	
Cn1ccc(C(=O)Nc2nc3ccccc3[nH]2)n1	218003113	STNDEVKGVFRKGL-UHFFFAOYSA-N	241.254	1.549	70	20	BDID	
Cn1nccc1CSc1nncn1C1CC1	161318736	CXDFLJTYNPOWOO-UHFFFAOYSA-N	235.316	1.639	70	20	BDID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)Nc1cn[nH]c1	159828545	IVYJKUOSBUWLBC-XVKPBYJWSA-N	221.260	1.354	70	20	BDID	
CC(C)[C@@H]1CCCN1C(=O)N[C@H]1CCOC1	159435448	MZGUZABCSPQIBV-QWRGUYRKSA-N	226.320	1.605	70	20	BDID	
Cc1cccc(CCCN(C)CCO)c1	159452084	NLVBQVVOPMSDCF-UHFFFAOYSA-N	207.317	1.852	70	20	BDID	
CC(C)CCNC(=O)N[C@@H]1CCOC1	159454552	VOIDWXMPEMYSRX-SECBINFHSA-N	200.282	1.121	70	20	BDID	
Cc1cccc(C)c1C(=O)N[C@H]1CCC[C@@H]1O	161247132	IOFVGVNUBGGCIV-RYUDHWBXSA-N	233.311	1.947	70	20	BDID	
COC(=O)[C@@H](C)CSCc1ccnn1C	161385716	SEDOIADSGVJADU-QMMMGPOBSA-N	228.317	1.462	70	20	BDID	
Clc1cncc(Cl)c1CN1CCNCC1	217786695	GQVSIOUTHLCNNX-UHFFFAOYSA-N	246.141	1.794	70	20	BDID	
CCC1(CNC(=O)CCNC(C)C)CC1	159632541	OEXISVWGDVRUEJ-UHFFFAOYSA-N	212.337	1.681	70	20	BDID	
C/C=C(\C)C(=O)N(CC(=O)OC)C1CCCC1	160822290	NGRBWYNEGUNEQM-ONNFQVAWSA-N	239.315	1.897	70	20	BDID	
CC(C)CCC(=O)N(CC(N)=O)CC(C)C	159788951	JCYLJXJJEAZWJK-UHFFFAOYSA-N	228.336	1.393	70	20	BDID	
COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)OC	218118659	JLJPMLYTWQTVIL-WDEREUQCSA-N	235.283	1.819	70	20	BDID	
COC[C@@H](NCCCN1CCCC1=O)C1CC1	159587698	WTYKVOIMIPWAEE-GFCCVEGCSA-N	240.347	1.014	70	20	BDID	
CCN(C(=O)N1CCOCC1)C1CCCC1	159488598	XYDKBLKLXGCMMC-UHFFFAOYSA-N	226.320	1.703	70	20	BDID	
CCCN1CCCN(C(=O)C(C)(C)C)CC1	160402118	JJQBTRGIUDOPPK-UHFFFAOYSA-N	226.364	1.977	70	20	BDID	
O=C(NCCCOCC1CC1)[C@@H]1CCCCO1	161205610	MWSHJTBQRAQKOA-LBPRGKRZSA-N	241.331	1.488	70	20	BDID	
CC[C@H](SC)c1nc(CC(=O)NC)no1	161380996	JTZFQKLXACQVEL-LURJTMIESA-N	229.305	1.172	70	20	BDID	
CC[C@H](N[C@@H](C)C(N)=O)c1ccc(F)cc1F	160694094	LPCKFCOTDULFHM-CPCISQLKSA-N	242.269	1.879	70	20	BDID	
CS[C@@H](C)CNC(=O)Cc1ccccc1O	159531625	AHIXVCWDBPLWNM-VIFPVBQESA-N	239.340	1.802	70	20	BDID	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cn[nH]c1	159543000	NNBZIMIEEGTADB-LLVKDONJSA-N	249.314	1.631	70	20	BDID	
CC/C=C(/C)C(=O)N(C)CC(=O)OCC	218162602	PILHUZFNENQIJX-CLFYSBASSA-N	213.277	1.364	70	20	BDID	
C1C[C@H](CNCC2CCSCC2)CO1	161501361	ROKMEISTYRWRQZ-LLVKDONJSA-N	215.362	1.756	70	20	BDID	
CCN(CC=C(C)C)[C@@H]1CCS(=O)(=O)C1	160846190	BNEVEOHLVBOYNU-LLVKDONJSA-N	231.361	1.462	70	20	BDID	
N[C@H]1CCC[C@H](NC(=O)CCC2CCC2)C1	161270406	AFZIATOHCCGWHP-RYUDHWBXSA-N	224.348	1.953	70	20	BDID	
CSCCCCC(=O)N[C@H]1CCC[C@@H](N)C1	161245941	VHHDSHFTQAJUNY-MNOVXSKESA-N	244.404	1.906	70	20	BDID	
CS[C@H](C)CNC(=O)NCCCF	160738130	CDCVAMXGXUFZHW-SSDOTTSWSA-N	208.302	1.397	70	20	BDID	
CC(C)CCC(=O)NC(C)(C)CCO	160777154	FOTIYFLJFLWKJY-UHFFFAOYSA-N	201.310	1.700	70	20	BDID	
C[C@H](OCCS(=O)(=O)Cl)C(F)(F)F	117760275	UHXYRCVDDRFRCM-BYPYZUCNSA-N	240.630	1.522	70	20	BDID	
CC[C@H](C)N(C)C(=O)C(=O)Nc1ccc(C)nc1	161075179	LJZWJDQDGIAUPL-JTQLQIEISA-N	249.314	1.585	70	20	BDID	
CCc1ncc(NC(=O)NCC(F)F)cn1	161204096	VUQMVSCIPBHSAV-UHFFFAOYSA-N	230.218	1.426	70	20	BDID	
CNCCNCCc1ccc(F)cc1F	161278126	RRPLOOMBOYZWAE-UHFFFAOYSA-N	214.259	1.316	70	20	BDID	
CC(C)CN(C)C(=O)N[C@H]1CCOC1	159435060	ZOFXWSMLTQMWBX-VIFPVBQESA-N	200.282	1.073	70	20	BDID	
CC[C@@H](CSC)Nc1cc(N)ncn1	217565388	JMCDBBMSIDZXPD-ZETCQYMHSA-N	212.322	1.612	70	20	BDID	
C[C@@H](O)[C@@H]1CCCN(C(=O)NC(C)(C)C)C1	160898068	OBELBGZEUVLWSO-NXEZZACHSA-N	228.336	1.587	70	20	BDID	
CCCCS(=O)(=O)NC1(C)CCOCC1	161021244	JQIYEVPMZWKHES-UHFFFAOYSA-N	235.349	1.275	70	20	BDID	
CCCn1c(-c2cccnc2)noc1=O	161319664	DNBJLJVPGQDVPC-UHFFFAOYSA-N	205.217	1.308	70	20	BDID	
CCCC1(CNC(=O)NCCOC)CC1	160233008	GBHRLKDRIFWSKV-UHFFFAOYSA-N	214.309	1.512	70	20	BDID	
CC[C@@H](C)OCC(=O)NCc1cnc(C)s1	160967888	DWCDOUAGHIKRMK-MRVPVSSYSA-N	242.344	1.883	70	20	BDID	
Cc1cccc(CN(C)C(=O)N[C@H]2CCOC2)c1	159385186	KSOMKZZFKCBGCB-ZDUSSCGKSA-N	248.326	1.925	70	20	BDID	
CN(Cc1cn[nH]c1)C(=O)/C=C\c1ccco1	216666206	NDWNESPTRHYSNR-PLNGDYQASA-N	231.255	1.675	70	20	BDID	
CC(C)NC(=O)NC[C@]1(C)CCCNC1	159987621	UOQAEKOAJZGRBM-LLVKDONJSA-N	213.325	1.084	70	20	BDID	
CNCCNCc1cc(F)cc(F)c1	161263035	JRYGOUXJYPDOIV-UHFFFAOYSA-N	200.232	1.274	70	20	BDID	
O=S(=O)(Cl)Cc1ccc2c(c1)OCO2	103582993	GKTXTEYFNRPKSM-UHFFFAOYSA-N	234.660	1.484	70	20	BDID	
CNCCNCc1ccccc1Br	161271503	HLNFYYGMYSNDOD-UHFFFAOYSA-N	243.148	1.758	70	20	BDID	
CC(C)OCCC(=O)Nc1cccc(F)n1	160580937	HMGYMFBCMAQOBY-UHFFFAOYSA-N	226.251	1.974	70	20	BDID	
CNC(=O)Nc1ccc2c(c1)CCCN2C(C)=O	160864288	SDDFHWHYWDURGW-UHFFFAOYSA-N	247.298	1.737	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)CCn1cncn1	159646472	CYRLVMHIGAUIJF-QWRGUYRKSA-N	236.319	1.363	70	20	BDID	
O=C(CC1CCC1)N[C@H]1CCC[C@H]1CO	218001167	JJFXKCYQJUSMFL-QWRGUYRKSA-N	211.305	1.454	70	20	BDID	
CCN(CCCO)C(=O)CC(F)(F)F	160318722	VYPJBYXRIQEZRH-UHFFFAOYSA-N	213.199	1.170	70	20	BDID	
C[C@@H](c1ccco1)N(C)Cc1nncn1C	160868606	BRHRPCFKCNISGZ-VIFPVBQESA-N	220.276	1.601	70	20	BDID	
CCO[C@H]1C[C@H](NC(=O)[C@H](C)N)C12CCCC2	161110531	KJLQENRHMSEIHQ-DCAQKATOSA-N	240.347	1.188	70	20	BDID	
COc1cc(NCC(=O)NC2CC2)ccc1F	160305616	GOTXAQHTHOXVGI-UHFFFAOYSA-N	238.262	1.525	70	20	BDID	
COCCNC(=O)N(C)CCC1CC1	160907816	FZZIFXVBFIXAQX-UHFFFAOYSA-N	200.282	1.074	70	20	BDID	
CC(C)C1(O)CN(C(=O)/C=C\c2ccco2)C1	216965162	OTZKEZLKEUDDRX-WAYWQWQTSA-N	235.283	1.522	70	20	BDID	
CCCCOCCCNC(=O)C(F)F	217649537	PCCQSKNFOVRRHO-UHFFFAOYSA-N	209.236	1.575	70	20	BDID	
C[C@H]1CCc2ncc(S(=O)(=O)Cl)n2C1	100468247	WYRHTFAZNHYCPV-LURJTMIESA-N	234.708	1.393	70	20	BDID	
CC(C)(C)Cc1cc(NC(=O)CCN)n[nH]1	161048190	YQCSQEXNNRQSKS-UHFFFAOYSA-N	224.308	1.286	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1cc[nH]c1	160255226	IGECQRXCQPMDCK-QMMMGPOBSA-N	224.260	1.086	70	20	BDID	
CC[C@@H](C)CN(C)C(=O)N[C@H]1CCOC1	159458348	XTUZFKOZJPIIBT-ZJUUUORDSA-N	214.309	1.463	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)c1ccc(=O)n(C)n1	159579213	ARZVGLKKSSEDRH-NXEZZACHSA-N	249.314	1.089	70	20	BDID	
NC(=O)CC1CCN(Cc2cccc(O)c2)CC1	159821262	PMYKDQVIHGUVRU-UHFFFAOYSA-N	248.326	1.480	70	20	BDID	
CCC(CC)(CN)C(=O)NCC[C@@H](O)C(C)C	161231941	PVFFMMKROGKDGS-LLVKDONJSA-N	244.379	1.275	70	20	BDID	
CCCOc1ccc(N2C(=O)CNC2=O)cc1	218418215	BEYRFGFPVZBHTI-UHFFFAOYSA-N	234.255	1.532	70	20	BDID	
C[C@@](CO)(NCC(F)F)c1ccccc1	161183711	MSNBIDOREIIMNS-NSHDSACASA-N	215.243	1.749	70	20	BDID	
CC[C@@H](CCO)N[C@H](C)c1ccncc1	161236322	YEUCGRKRECHZLB-PWSUYJOCSA-N	208.305	1.893	70	20	BDID	
CC(C)n1nnnc1SCc1ccnn1C	161307763	KAXJURLXVXXXSH-UHFFFAOYSA-N	238.320	1.280	70	20	BDID	
CN[C@H]1CCN(C(=O)CCCc2ccccn2)C1	160493564	XRHXHKWMQQIZOE-ZDUSSCGKSA-N	247.342	1.225	70	20	BDID	
C[C@H](O)[C@@H]1CCN(CCC(F)(F)F)C1	159469995	IMNDHCJTVPAVML-JGVFFNPUSA-N	211.227	1.642	70	20	BDID	
C[C@H](O)CCCN1CCCO[C@@H](C)C1	217595700	PKOHWPBKZKVVDU-QWRGUYRKSA-N	201.310	1.258	70	20	BDID	
CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)N)C12CCCC2	161112040	KJLQENRHMSEIHQ-GMTAPVOTSA-N	240.347	1.188	70	20	BDID	
COc1cccc2c1CC[C@H]2NC(=O)[C@H](C)OC	160038438	PCRLVIPNCIPIMJ-JOYOIKCWSA-N	249.310	1.834	70	20	BDID	
CC(C)CN(CC(N)=O)C(=O)C1CCCCC1	159820651	VZGMESVYVFFASP-UHFFFAOYSA-N	240.347	1.537	70	20	BDID	
CC[C@@H](COC)Nc1ncccc1OC	159470113	YLLNDZJECKABLM-VIFPVBQESA-N	210.277	1.927	70	20	BDID	
CCN(CC)C(=O)N[C@H]1CC(=O)N(C(C)C)C1	217288598	WWEXFFMYTPUATH-JTQLQIEISA-N	241.335	1.047	70	20	BDID	
CCOC(C)(C)CNC(=O)CCCCO	159784285	OKEOJPPNPFULDP-UHFFFAOYSA-N	217.309	1.080	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)CCOCCOC	159560552	UXDGYRZKSJKNPG-VXGBXAGGSA-N	243.347	1.734	70	20	BDID	
CC[C@H](O)CCNC(=O)NCCC(C)C	160646289	CDILBHLVSLZEFD-JTQLQIEISA-N	216.325	1.493	70	20	BDID	
Cc1ccoc1C(=O)N[C@H]1CCC[C@@H](N)C1	160900023	AISMEXUCRUTROV-ZJUUUORDSA-N	222.288	1.588	70	20	BDID	
N[C@H]1CCC[C@@H](NC(=O)CCc2ccncc2)C1	161220364	MRIQWEXYZHYOPP-QWHCGFSZSA-N	247.342	1.400	70	20	BDID	
CC[C@@H](C(=O)Nc1ccccc1)C(=O)OC	216849129	SSWWGNXCWRHOFR-JTQLQIEISA-N	221.256	1.824	70	20	BDID	
COCCNC(=S)N[C@@H](C)CC(C)C	159570945	CRKNAPXXPFCFKW-VIFPVBQESA-N	218.366	1.532	70	20	BDID	
CCOC[C@H](O)CN[C@H]1CC(C)(C)OC1(C)C	161349430	VYGOUDFUHQEPMR-MNOVXSKESA-N	245.363	1.320	70	20	BDID	
c1nc2c(n1C[C@H]1CCOC1)CCCC2	160721114	FQTRHULQYYIUDF-SNVBAGLBSA-N	206.289	1.798	70	20	BDID	
CC(C)(O)CNCc1cc(F)cc(F)c1	161038396	PWAJTISQTMSOQZ-UHFFFAOYSA-N	215.243	1.825	70	20	BDID	
COC(=O)CCC(=O)N1[C@@H](C)CC[C@@H]1C	161437970	FVZASPZBNBJWLK-IUCAKERBSA-N	213.277	1.339	70	20	BDID	
Cc1cc(C(=O)NC[C@H]2CCCCO2)ncn1	160111266	OYSPRYJCPWLWJR-SNVBAGLBSA-N	235.287	1.084	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)C1CC1	160389305	OSMFTGFPLDHEMO-RKDXNWHRSA-N	227.304	1.490	70	20	BDID	
C[C@H](CC1CC1)NC(=O)N[C@H]1CCOC1	159405891	VZUSNPBFAIKGGY-SCZZXKLOSA-N	212.293	1.263	70	20	BDID	
O=S(=O)(F)c1ccccc1-c1ccno1	101454640	FQBNBOIXLWNLHP-UHFFFAOYSA-N	227.216	2.000	70	20	BDID	
COC(=O)CCCN(C)C[C@H]1CCC[C@@H]1O	159500266	IWYLRQQWBHBXRF-MNOVXSKESA-N	229.320	1.032	70	20	BDID	
O=S(=O)(F)Oc1ccc2cncnc2c1	1887503870	HUBRVSZHMIULJZ-UHFFFAOYSA-N	228.204	1.223	70	20	BDID	
CSCCNC1CCC(NC(C)=O)CC1	161223577	MRYJVBCUPHUACW-UHFFFAOYSA-N	230.377	1.386	70	20	BDID	
CC(C)SCC(=O)N1CCC[C@@](C)(O)C1	161024989	RAIVVBXCPRSWSZ-LLVKDONJSA-N	231.361	1.501	70	20	BDID	
CCC[C@H](O)CN[C@@H]1CCCOCC1	161443609	MSBHVDDOYRMYKD-MNOVXSKESA-N	201.310	1.306	70	20	BDID	
C[C@@H]([C@H]1C[C@H]2CC[C@H]1O2)S(=O)(=O)Cl	306835441	SLQPZZJVQMPNGV-LXGUWJNJSA-N	224.709	1.511	70	20	BDID	
CC(C)CN(C(=O)N[C@H]1CCOC1)C1CC1	159542219	YDHPLSCIXMMOEB-JTQLQIEISA-N	226.320	1.605	70	20	BDID	
C[C@H](N)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1	161053674	AEPNQQKKXHBOIZ-FPMFFAJLSA-N	246.354	1.861	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)C1(O)CCCCC1	161112820	IFFNYBNKZCAHJN-LLVKDONJSA-N	243.347	1.205	70	20	BDID	
CCOCC(=O)NC[C@H]1[C@H]2Cc3ccccc3[C@H]12	161500161	IDQHPPHYIVQLRX-IPYPFGDCSA-N	245.322	1.725	70	20	BDID	
CC1(NC(=O)c2ccco2)CCNCC1	160571499	DDUCJPLBMASSOA-UHFFFAOYSA-N	208.261	1.152	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H](C)SC	160799358	CDLWMMQQFRSFOH-SFYZADRCSA-N	233.333	1.196	70	20	BDID	
CCC[C@@](C)(O)C(=O)Nc1ccc(F)nc1	159587507	DJFFLRTXORZMGL-LLVKDONJSA-N	226.251	1.710	70	20	BDID	
CO[C@@H](C)CCC(=O)Nc1[nH]nc(C)c1C	159653894	PTPGIRFMOLZNQH-ZETCQYMHSA-N	225.292	1.780	70	20	BDID	
C1COCC[C@H](NC[C@@H]2CSCCS2)C1	161466715	MFBTVSNWRSKHSQ-GHMZBOCLSA-N	247.429	1.994	70	20	BDID	
CCNCCNCc1sccc1OC	161306227	SHKCFMGDSAGMBR-UHFFFAOYSA-N	214.334	1.456	70	20	BDID	
Cc1ncc([C@@H](C)NC2CCN(C)CC2)c(C)n1	161456452	IIBVWDKECCLBTF-LLVKDONJSA-N	248.374	1.838	70	20	BDID	
CCOC(=O)C1(C(=O)N(C)C2CC2)CCC1	161484000	HLHQFKUZEBCXKY-UHFFFAOYSA-N	225.288	1.341	70	20	BDID	
c1cnc(N2CCC[C@H]2CN2CCCCC2)nc1	160427154	SKXKLPZCVXTLLK-ZDUSSCGKSA-N	246.358	1.931	70	20	BDID	
O=C(NCC(F)F)c1cccc2[nH]c(=O)oc12	159417691	DEWIGWMKCRZFNJ-UHFFFAOYSA-N	242.181	1.116	70	20	BDID	
CCC1(O)CN(C(=O)/C=C\c2cccs2)C1	217469079	SLTJOEKUKLXIJN-WAYWQWQTSA-N	237.324	1.745	70	20	BDID	
C[C@@H](CO)SCc1ccc(CO)cc1	161212265	VJEVTIMRTVQXNG-VIFPVBQESA-N	212.314	1.793	70	20	BDID	
CC[C@H](N)C(=O)Nc1cc(CC(C)(C)C)[nH]n1	161049010	CPGXWIICOHTTAK-VIFPVBQESA-N	238.335	1.674	70	20	BDID	
Cc1ccc(NC(=O)N(C)C[C@H](C)O)cn1	161316274	FJGLHLZQSMMOLK-VIFPVBQESA-N	223.276	1.235	70	20	BDID	
CCc1nc(CN(C)[C@H](C)c2ccccn2)n[nH]1	159616384	RIYYCGPRVPUFOQ-SNVBAGLBSA-N	245.330	1.955	70	20	BDID	
Cc1ccoc1CN1CCC(CC(N)=O)CC1	159816982	IKCRCKJORPXCIN-UHFFFAOYSA-N	236.315	1.675	70	20	BDID	
Cc1nc(NC(=O)c2ccc(C(C)C)nc2)n[nH]1	159516119	FTJXQBJCCLSGDG-UHFFFAOYSA-N	245.286	1.884	70	20	BDID	
NC(=O)CC1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1	159732408	FUZHVMCKUFAXOD-HZSPNIEDSA-N	248.370	1.786	70	20	BDID	
CC[C@H](C)C(=O)N(CC(N)=O)CC(C)C	159735198	QUCIVLSCMSFFIK-VIFPVBQESA-N	214.309	1.002	70	20	BDID	
COC(=O)CCNC(=O)CCCCSC	159418317	AADWFOLZHNWSHK-UHFFFAOYSA-N	233.333	1.199	70	20	BDID	
O[C@@H]1CCCCC[C@H]1NCc1cscn1	159800439	WWHVCDYCGSYKMT-GHMZBOCLSA-N	226.345	1.926	70	20	BDID	
C[C@]1(O)CCCN(C(=O)N2CCCC2)C1	160860507	FKHBTQHUOBFTBT-NSHDSACASA-N	212.293	1.049	70	20	BDID	
CC(C)OCCN1CCN(c2ccncc2)CC1	161348057	LYQIFDWHXPTZEM-UHFFFAOYSA-N	249.358	1.629	70	20	BDID	
O=S(=O)(Cl)c1[nH]nc2c1CCCC2	100559278	IYIDOXVJSWCIAE-UHFFFAOYSA-N	220.681	1.216	70	20	BDID	
CCC[C@H](C)CC(=O)N(C)[C@H](C)CO	160482989	FOYHAPCZNKOUSZ-VHSXEESVSA-N	201.310	1.652	70	20	BDID	
C[C@H]1[C@H](C)CCCN1C(=O)N[C@@H]1CCOC1	159453994	AIXOBCLDCZLQAF-OUAUKWLOSA-N	226.320	1.605	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(C)C1	159733462	SANOJIZGUIDVOY-AXFHLTTASA-N	238.331	1.160	70	20	BDID	
CC[C@]1(C)C[C@H]1C(=O)N[C@@H]1CCN(C(C)=O)C1	159759888	GLPADMNHSUJVAF-NTZNESFSSA-N	238.331	1.160	70	20	BDID	
c1ncc(CN2CCCN3CCC[C@@H]3C2)s1	161276015	GNVYXPQQBITYOH-LLVKDONJSA-N	237.372	1.813	70	20	BDID	
O=C(CCl)N[C@H](CO)CC1CCCCC1	147370817	KAMYFBSPUPNXPL-JTQLQIEISA-N	233.739	1.673	70	20	BDID	
Cn1c(C(=O)N2C[C@H]3CC[C@@H]2C3)cccc1=O	160723197	BIMRPMKJKDQAAA-VHSXEESVSA-N	232.283	1.010	70	20	BDID	
CC(C)c1cc(=O)n(Cc2nccs2)cn1	160855609	PWIABLWHIJMJEO-UHFFFAOYSA-N	235.312	1.872	70	20	BDID	
CC[C@@H]1C[C@H]1Nc1nccn2c(C)nnc12	218054966	MQRSDKBODQLPIZ-RKDXNWHRSA-N	217.276	1.643	70	20	BDID	
COCCCNC(=O)NCCc1ccccc1	217304759	PHSFBANNBUKYDH-UHFFFAOYSA-N	236.315	1.565	70	20	BDID	
C[C@@H]1C[C@H]1C(=O)NCC1(C)CCNCC1	159980333	FXZKYVYPCRAFNA-NXEZZACHSA-N	210.321	1.148	70	20	BDID	
Cc1ccccc1C[C@@H](C)NC[C@H](C)N	218299565	DWOWGYPWDJOTOI-NWDGAFQWSA-N	206.333	1.863	70	20	BDID	
COCCN(C)C(=O)Cc1c(C)noc1Cl	160731140	FGBRHIDAURMHBN-UHFFFAOYSA-N	246.694	1.284	70	20	BDID	
CC1CCC(CNC(=O)N[C@@H]2CCOC2)CC1	159388793	HXVWFMDRPHFISR-HTAVTVPLSA-N	240.347	1.901	70	20	BDID	
CC[C@@H](CCO)Nc1ncccc1OC	217995180	WQQZZRVLWWOGKY-VIFPVBQESA-N	210.277	1.663	70	20	BDID	
CCOC[C@@H](CC)CS(=O)(=O)Cl	114433370	SUIGTEBWFOSWDD-SSDOTTSWSA-N	214.714	1.618	70	20	BDID	
CC[C@]1(C)C[C@H]1C(=O)NCCn1ccnc1	159790701	FDWYSNZLPYXMQA-CMPLNLGQSA-N	221.304	1.436	70	20	BDID	
CC[C@@]1(C)C[C@@H](S(=O)(=O)Cl)CCO1	112132192	XRMCGKZZNKAATP-YUMQZZPRSA-N	226.725	1.903	70	20	BDID	
CCN(Cc1cccc(F)c1)Cc1nncn1C	160705770	IECRMWXODKTFPY-UHFFFAOYSA-N	248.305	1.976	70	20	BDID	
CC[C@]1(C)CCCN(C(=O)[C@@H]2CCCN2)C1	160777128	GDSNFANMCVRXPN-WCQYABFASA-N	224.348	1.777	70	20	BDID	
CCOC(=O)CCc1ccc(NC(N)=O)cc1	159625549	DZLDOOGJVJURSM-UHFFFAOYSA-N	236.271	1.673	70	20	BDID	
CCCNC(=S)N1CCN(CC)[C@@H](C)C1	159745677	KCGYLOMKROGONG-JTQLQIEISA-N	229.393	1.297	70	20	BDID	
COc1ccc(S(=O)(=O)Cl)cc1C(C)=O	59213058	PUCZRDMTYBCPFX-UHFFFAOYSA-N	248.687	1.825	70	20	BDID	
CO[C@H](C)CNC(=O)/C=C\c1ccccc1	216748082	AONVTFURXMUGHH-TYBABMIJSA-N	219.284	1.851	70	20	BDID	
CC[C@@H](CCO)NCC1(O)CCCC1	217803202	DILSHODOKXYUQI-JTQLQIEISA-N	201.310	1.042	70	20	BDID	
CCOC(=O)CN(C)C[C@@H]1CCC(C)(C)O1	160825437	OEHJHGYDWMXWFK-JTQLQIEISA-N	229.320	1.439	70	20	BDID	
CC(C)OCCNC(=O)c1ccc2c(c1)NCC2	160382582	JKCSTVJBMPDLTQ-UHFFFAOYSA-N	248.326	1.809	70	20	BDID	
C[C@H](N)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F	161019013	LUAMPLPTCPHPQA-NYNCVSEMSA-N	240.253	1.284	70	20	BDID	
CC(C)OCCN1CC[C@@H]([C@@H](C)O)C1	159471708	KSCLJCPXCPPRLV-GHMZBOCLSA-N	201.310	1.114	70	20	BDID	
O[C@H](CNCc1nccs1)C(F)(F)F	218130430	ZNVHYQZILKGKKH-RXMQYKEDSA-N	226.223	1.156	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CN(C)CCO1	159663313	LXGQKESIQVKZLN-UTUOFQBUSA-N	240.347	1.012	70	20	BDID	
Cc1cc(C(=O)N2[C@H](C)CC[C@H]2C)on1	161418722	VXLAVRNOFXYDPL-RKDXNWHRSA-N	208.261	1.996	70	20	BDID	
Cn1nccc1C(=O)NCCc1cccc(O)c1	160222462	CSJFKONYWBXUGJ-UHFFFAOYSA-N	245.282	1.098	70	20	BDID	
CC(C)OCCn1cnc(C(C)C)cc1=O	160830128	NAGKOXVCDICZQG-UHFFFAOYSA-N	224.304	1.792	70	20	BDID	
CCOC(C)(C)CNc1nccn(CC)c1=O	159516198	YQPASAZWXYRGHD-UHFFFAOYSA-N	239.319	1.490	70	20	BDID	
NCCC(=O)N[C@H]1CCC[C@H]1c1ccccc1	159714383	YEYIELMPPYBSAW-STQMWFEESA-N	232.327	1.788	70	20	BDID	
COCCCN(CCOC)C(=O)[C@@H]1CC1(C)C	159967965	SZLUTSGSSFPSJH-NSHDSACASA-N	243.347	1.544	70	20	BDID	
Cn1cnnc1CN1CC[C@@H]2CCCC[C@@H]21	160889445	UXMZQFQWASUXDW-QWRGUYRKSA-N	220.320	1.580	70	20	BDID	
COCCCNCc1cc(O)cc(F)c1	159587328	QLZWKHBVDXGXGG-UHFFFAOYSA-N	213.252	1.657	70	20	BDID	
CCN(CCCO)C(=O)[C@H]1CC=CCC1	160296988	CQBJJLFVUWKNMG-NSHDSACASA-N	211.305	1.574	70	20	BDID	
CCc1nnc(Cn2cnc3c2CCCC3)o1	160719615	ROWPYRAHPFOMGB-UHFFFAOYSA-N	232.287	1.756	70	20	BDID	
O=S(=O)(Cl)Cc1cnc2ccccc2n1	88251444	ZMDSCDGUYAZWNK-UHFFFAOYSA-N	242.687	1.698	70	20	BDID	
CC(C)OC[C@H](O)CN1CCCC[C@@H]1C	217541360	JAJLXFMHKQDWDI-NWDGAFQWSA-N	215.337	1.647	70	20	BDID	
Cc1ncc([C@H](C)NC2CCN(C)CC2)c(C)n1	161456573	IIBVWDKECCLBTF-NSHDSACASA-N	248.374	1.838	70	20	BDID	
C[C@H]1CC[C@H](C(=O)Nc2ccncc2O)O1	159733502	OOFKNJWQVUEWOW-OIBJUYFYSA-N	222.244	1.293	70	20	BDID	
N[C@H]1CCC[C@@H](NC(=O)COc2ccccc2)C1	160967594	GYIYNMIXDXBMPL-NWDGAFQWSA-N	248.326	1.452	70	20	BDID	
CCN(CCCO)C(=O)CCC(C)C	160296720	DOQUYIYQAWETHL-UHFFFAOYSA-N	201.310	1.654	70	20	BDID	
CSCC[C@@H](N)C(=O)NCCCC1CC1	161228159	YJPDWJVWGKQOBT-SNVBAGLBSA-N	230.377	1.373	70	20	BDID	
O=C(O)Cc1ccccc1CS(=O)(=O)Cl	169100959	RSIVVUPKCIHPNO-UHFFFAOYSA-N	248.687	1.382	70	20	BDID	
COc1ccnc(N[C@H]2CCO[C@@H](C3CC3)C2)n1	160290184	NMHSPENFAIPMHL-WDEREUQCSA-N	249.314	1.855	70	20	BDID	
CCc1ccc(CC(=O)N2CC[C@H](NC)C2)cc1	160681730	KWHFSBKDSSCRMA-AWEZNQCLSA-N	246.354	1.612	70	20	BDID	
CC(C)CSCCCNC(=O)c1c[nH]nn1	160770890	YBJLNCPOEIWVKR-UHFFFAOYSA-N	242.348	1.314	70	20	BDID	
CCOCCN(C)Cc1cc(O)cc(F)c1	159848379	QPSVXUIHARODAM-UHFFFAOYSA-N	227.279	2.000	70	20	BDID	
O=C(N[C@H]1CC=CCC1)N[C@@H]1CCOC1	159538812	VBIPNANGDQKPEA-VHSXEESVSA-N	210.277	1.183	70	20	BDID	
CCN(C)C(=O)CNc1nc(Cl)cs1	218617687	LAJXLLDZHPVMCY-UHFFFAOYSA-N	233.724	1.687	70	20	BDID	
O=C(N[C@H]1CCC[C@H]1CO)[C@@H]1CCSC1	218057998	XGMWZMKQKMSOGG-AEJSXWLSSA-N	229.345	1.017	70	20	BDID	
CC(C)(C)NCCN1CC[C@@H](CCO)C1	159765364	CTPJBYHTMHUJMA-NSHDSACASA-N	214.353	1.079	70	20	BDID	
C[C@@H](CCO)Nc1nnc(C2CC2)s1	160658159	NVTFPRCVJVFIGZ-LURJTMIESA-N	213.306	1.598	70	20	BDID	
Cc1ncsc1C(=O)NC(C)(C)CCO	160773907	NNARVWVTHOOEEX-UHFFFAOYSA-N	228.317	1.342	70	20	BDID	
C[C@@H](NC[C@@H]1COCCO1)c1cscn1	161158761	MKVMMFLZIKJZLD-RKDXNWHRSA-N	228.317	1.209	70	20	BDID	
Cc1nn(C)c(C)c1CS(=O)(=O)Cl	88251318	ILZIARGTTCKEBD-UHFFFAOYSA-N	222.697	1.106	70	20	BDID	
O=C(C(F)F)N1CCc2ccccc2C1	217588809	FZYGOJRLWMOXEB-UHFFFAOYSA-N	211.211	1.836	70	20	BDID	
O=C(c1ccncc1F)N1C[C@@H]2CC[C@H](C1)O2	217721120	QLSFATXFHQEXHJ-DTORHVGOSA-N	236.246	1.224	70	20	BDID	
CC(=O)Nc1ccccc1S(=O)(=O)Cl	101778827	VKPQLZPZPYQFOK-UHFFFAOYSA-N	233.676	1.573	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)CNC(=O)OC	159760229	GSHYAESUQHWQCB-DTWKUNHWSA-N	228.292	1.037	70	20	BDID	
CN1CCCC[C@H]1CNC(=O)NC1CCCC1	160472412	XCBHHHPETSWUJR-LBPRGKRZSA-N	239.363	1.713	70	20	BDID	
CN(Cc1cccn1C)C(=O)[C@@H]1CCOC1	160798433	LSTRXJGQYUDGBK-SNVBAGLBSA-N	222.288	1.020	70	20	BDID	
CCCC[C@H](COC)NC(=O)[C@H](N)C(C)C	161166743	VDGIGSJVTZBZJZ-GHMZBOCLSA-N	230.352	1.291	70	20	BDID	
COCCCCNC(=O)Nc1ccc(C)nc1	161506232	FXBWRWBAIVYQQQ-UHFFFAOYSA-N	237.303	1.938	70	20	BDID	
CCc1nc(CN(C)OCc2ccccc2)n[nH]1	159461813	MQUBWHGQVBSZKZ-UHFFFAOYSA-N	246.314	1.931	70	20	BDID	
O=S(=O)(F)Oc1ccc2cnccc2c1	1887577419	JDCVRYDLBSXWOL-UHFFFAOYSA-N	227.216	1.828	70	20	BDID	
C[C@H](N)C(=O)N[C@@H](Cc1ccccc1)C1CC1	161257993	SVSDLVCHUIZPMZ-GWCFXTLKSA-N	232.327	1.471	70	20	BDID	
CCOC(=O)NCCOC(=O)C(C)(C)C	218739523	QMHFWKJFKIDJGD-UHFFFAOYSA-N	217.265	1.322	70	20	BDID	
CC1CC(NC(=O)CC[C@H]2CCNC2)C1	160467065	DMOQZPMMCBZILH-YVNMAJEFSA-N	210.321	1.291	70	20	BDID	
NCCCCNC(=O)C1[C@H]2CCCC[C@H]12	161453926	LDSONOGIIMAYOP-UWVGGRQHSA-N	210.321	1.278	70	20	BDID	
COc1ccnc(Oc2ccc(F)nc2)n1	161235605	LKZFSTTUUSSYBC-UHFFFAOYSA-N	221.191	1.812	70	20	BDID	
CS[C@@H](C)CC(=O)Nc1nc(C)no1	160570172	BIMXIEMWCLTCPM-YFKPBYRVSA-N	215.278	1.458	70	20	BDID	
CC1CCN(C(=O)N2C[C@H](C)O[C@@H](C)C2)CC1	160295862	DGIKPAKZTBGICA-RYUDHWBXSA-N	240.347	1.948	70	20	BDID	
C[C@@H]1CCN(C(=O)c2ccncc2F)C1	161429295	MYUWHTDRGOJWLI-MRVPVSSYSA-N	208.236	1.703	70	20	BDID	
C[C@H]1CCC[C@@H](C(=O)NCc2nncn2C)C1	160132611	IMVJWKWOSRISFS-VHSXEESVSA-N	236.319	1.258	70	20	BDID	
Cc1cncc(N2CCC(n3ccnn3)CC2)n1	160225099	MQVLRVFSZXGCLG-UHFFFAOYSA-N	244.302	1.218	70	20	BDID	
CCCCNC(=O)N(CCC)CC(=O)N(C)C	160429169	IVLKTMXHENNKLC-UHFFFAOYSA-N	243.351	1.296	70	20	BDID	
CC[C@@H](C(=O)N[C@@H](C)C1CCOCC1)N(C)C	160760155	LGBLAUMPKCURMP-JQWIXIFHSA-N	242.363	1.258	70	20	BDID	
COc1ccc(NC(=O)[C@@H](C)SC)cc1N	160999905	HNYDUKIHLGOLNA-SSDOTTSWSA-N	240.328	1.967	70	20	BDID	
Cc1cc(C(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)[nH]n1	159811963	NPBIBJBCLZCZCY-FOGDFJRCSA-N	249.314	1.406	70	20	BDID	
CCCN(CC)c1ccc(C(=O)NC)cn1	159577219	MBJRRHVTKIVVIU-UHFFFAOYSA-N	221.304	1.678	70	20	BDID	
C[C@@H](c1ccccn1)N(C)C[C@H](O)C1CC1	160858912	HWTOCGXMAASSBA-GWCFXTLKSA-N	220.316	1.845	70	20	BDID	
COCCNCc1cc(F)cc(OC)c1	159673695	LPZOPMQUNHJWSC-UHFFFAOYSA-N	213.252	1.570	70	20	BDID	
CC1CC(Nc2nccn3cnnc23)C1	161422802	PSXFGEMQBYTPTP-UHFFFAOYSA-N	203.249	1.335	70	20	BDID	
CNc1ccccc1C(=O)NCCOC(C)C	160680387	ZPKPUANTEMAYNG-UHFFFAOYSA-N	236.315	1.883	70	20	BDID	
CN(CC(F)(F)F)C(=O)c1cccc(=O)n1C	160915533	JGWANUDWKQEXLT-UHFFFAOYSA-N	248.204	1.020	70	20	BDID	
C[C@@H](NC(=O)Nc1cnn(C)c1)C1CCC1	159804508	UWYLZLFVVGGUPN-MRVPVSSYSA-N	222.292	1.730	70	20	BDID	
CCC(CC)CNC(=O)N[C@H](C)CO	160591428	VIRBFKNXUVMMPR-MRVPVSSYSA-N	202.298	1.103	70	20	BDID	
O=C(NCCc1ccc(O)cc1)c1cncs1	217896693	VPVSLSXKGQCGGW-UHFFFAOYSA-N	248.307	1.821	70	20	BDID	
CCOCC(=O)N[C@H](CC)c1c(C)noc1C	160004182	PQZHKGGXYWFTPX-SNVBAGLBSA-N	240.303	1.895	70	20	BDID	
COc1cccc2c1CC[C@@H]2NC(=O)[C@H](C)OC	160038621	PCRLVIPNCIPIMJ-CABZTGNLSA-N	249.310	1.834	70	20	BDID	
Cc1cc(C(=O)NCC2(C3CC3)CC2)no1	159680872	XGBWISHVEWOVBE-UHFFFAOYSA-N	220.272	1.903	70	20	BDID	
COc1ccc(NC(=O)[C@H](C)N(C)C)cc1N	161352918	WFWWBFMTAAQGGL-QMMMGPOBSA-N	237.303	1.166	70	20	BDID	
CCNC(=O)CN1CCC[C@H]1c1cccc(C)n1	159763783	XVVDRRYCWNXKEU-ZDUSSCGKSA-N	247.342	1.663	70	20	BDID	
CN(CCCN1CCCCC1)c1cnn(C)c1	161394685	ZIADYIZYXCYMQO-UHFFFAOYSA-N	236.363	1.732	70	20	BDID	
C1CCN2CC[C@H](N[C@H]3CCSC3)[C@@H]2C1	217648793	FUVZZTOLLKWTFS-SRVKXCTJSA-N	226.389	1.708	70	20	BDID	
C[C@@H]1CN(S(=O)(=O)Cl)C[C@@H](C)S1	112134813	JDVSNQIQGBDNPL-PHDIDXHHSA-N	229.754	1.296	70	20	BDID	
COc1cc(F)c(C(=O)NC(C)C)cc1OC	161094478	VSEAXAAWGZTCDC-UHFFFAOYSA-N	241.262	1.981	70	20	BDID	
CNC(=O)c1cnc2c(C)cc(C)cc2c1O	161221427	YKDQWZHOYSCVRK-UHFFFAOYSA-N	230.267	1.917	70	20	BDID	
CSCCN(C)C[C@H]1CCCC[C@@H]1O	159502944	QNXWDZUFDSRBOP-MNOVXSKESA-N	217.378	1.832	70	20	BDID	
CCC[C@@]1(C)CCCN(C(=O)[C@@H](C)N)C1	160932664	ATGCALRTGNOEKZ-PWSUYJOCSA-N	212.337	1.762	70	20	BDID	
CC[C@@H](C)[C@H](O)CNC(=O)C(CC)(CC)CN	161224629	GFDUDDDNDZBJKF-GHMZBOCLSA-N	244.379	1.275	70	20	BDID	
CNCCNCc1cccc(Cl)c1F	161251128	SOSYXBSFLBSWLV-UHFFFAOYSA-N	216.687	1.788	70	20	BDID	
CNC[C@H]1CCCN1C(=O)CCCCSC	161206490	HTMMHHRPBTYHOU-LLVKDONJSA-N	244.404	1.730	70	20	BDID	
CSC[C@@H](C)NC(=O)NC1(C)CCC1	161381636	UNICTQPPDBEJLP-MRVPVSSYSA-N	216.350	1.980	70	20	BDID	
CCc1nc(CN(C)[C@H](CC)CSC)n[nH]1	160254897	FAZPZEQAGLOEDT-SECBINFHSA-N	242.392	1.941	70	20	BDID	
CC[C@H]1CCCN(C(=O)N[C@H]2CCOC2)C1	159443988	URWQTRABHKUMPU-QWRGUYRKSA-N	226.320	1.607	70	20	BDID	
CC(C)N[C@H](CC(N)=O)C1CCCCC1	159753917	NCWCNOCPINTXQI-LLVKDONJSA-N	212.337	1.809	70	20	BDID	
CCOCCCN1C[C@@H](C)OC(C)(C)C1	159667679	XMUUVLUCOMVWCV-LLVKDONJSA-N	215.337	1.912	70	20	BDID	
Cn1cc(NC(=O)c2ccncc2F)cn1	161398842	AOGNAIQCUCUJDZ-UHFFFAOYSA-N	220.207	1.207	70	20	BDID	
Cn1nccc1CSc1nnc(N)s1	161203301	OIODXDCACQDHLE-UHFFFAOYSA-N	227.318	1.146	70	20	BDID	
COCCC(=O)Nc1cc(C2CC2)nc(C)n1	160252683	HRPOVYVPYYOEPH-UHFFFAOYSA-N	235.287	1.637	70	20	BDID	
CC[C@@H](C)OCC(=O)N[C@H]1CCCSC1	160830578	IITCRMFBUIHMFF-ZJUUUORDSA-N	231.361	1.813	70	20	BDID	
CC(C)C[C@H](C)NC(=O)NCCn1cccn1	159688143	JPRPCGOHWWCDCY-NSHDSACASA-N	238.335	1.617	70	20	BDID	
CCN(CCNCC1(C)COC1)C1CC1	217420706	FHYAMWZAWYLELR-UHFFFAOYSA-N	212.337	1.097	70	20	BDID	
C1=CCC(N[C@@H]2CCN3CCC[C@@H]3C2)C1	159988023	NJQDJLUCHWGFTA-CHWSQXEVSA-N	206.333	1.921	70	20	BDID	
S=C(NC[C@H]1CCCCO1)NC1CCCC1	160435869	WMXSACOOXDEWLE-LLVKDONJSA-N	242.388	1.962	70	20	BDID	
CCC[C@H]1NC(=O)N(Cc2nccs2)C1=O	161187249	KVPATFFTAHHIRH-SSDOTTSWSA-N	239.300	1.364	70	20	BDID	
CC[C@@]1(C)C[C@@H]1C(=O)Nc1nncs1	160300283	IXYPGQYWLBLZMU-MUWHJKNJSA-N	211.290	1.913	70	20	BDID	
CN(Cc1cccnc1)C(=O)[C@@H]1CCCCO1	160956377	LQRLKXBKEUFJKS-LBPRGKRZSA-N	234.299	1.609	70	20	BDID	
CCc1nc(CN(C)[C@H]2CCSC2)n[nH]1	159547520	KTTPRXPGRBZAQV-QMMMGPOBSA-N	226.349	1.304	70	20	BDID	
Cn1ncnc1CSc1ccncc1	159956842	VSGABYFTJGNGHM-UHFFFAOYSA-N	206.274	1.502	70	20	BDID	
CCn1cc(OCc2nnc3n2CCCC3)cn1	217323348	ZIDWFXIWFVTJFE-UHFFFAOYSA-N	247.302	1.410	70	20	BDID	
COc1cc(NCc2cn(C)nn2)ccc1F	160103371	HPTGOKQNEWJOBH-UHFFFAOYSA-N	236.250	1.575	70	20	BDID	
Cc1occc1-c1noc([C@@H](C)CN)n1	160394772	RSTOHXQGIHNFIX-LURJTMIESA-N	207.233	1.700	70	20	BDID	
CC[C@@H](COC)NC(=O)c1ccncc1F	161405170	QCKDVBUVEDDWJO-QMMMGPOBSA-N	226.251	1.376	70	20	BDID	
CCN(CC)C(=O)N1CC[C@@H](N)C[C@H]1C	160168409	WRRPTRZXNLHYMQ-NXEZZACHSA-N	213.325	1.260	70	20	BDID	
COc1ccc(C(=O)N2CCC[C@@H]2CN)c(C)c1	160313061	UPVACZPLWDZZKU-LLVKDONJSA-N	248.326	1.567	70	20	BDID	
O=C(Nc1ccn(CC(F)(F)F)n1)NC1CC1	160401936	AOLAYSWZASAHQG-UHFFFAOYSA-N	248.208	1.729	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)C[C@H]1C=CCC1	160816770	FCZXPSYZXQTLTE-MNOVXSKESA-N	239.315	1.801	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cnn(C)c1	159734511	TUZBOCPNTVODAY-KOLCDFICSA-N	221.304	1.729	70	20	BDID	
CCC[C@H](O)CNS(=O)(=O)CC(C)(C)C	218194356	GEBGNSWGKHPIQJ-VIFPVBQESA-N	237.365	1.113	70	20	BDID	
CCc1ncnc(NCCN(C)CC)c1F	217992340	GEGSFLWDVJLIHC-UHFFFAOYSA-N	226.299	1.542	70	20	BDID	
C[C@H](CNC(=O)c1ccn(C)c(=O)c1)C1CC1	218763517	SVLOJNXBBAYKFT-SECBINFHSA-N	234.299	1.161	70	20	BDID	
C[C@@H](N)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21	161394588	XYZZASBPRKZXDO-KOLCDFICSA-N	248.326	1.752	70	20	BDID	
CC[C@@H]([C@@H]1CCOC1)S(=O)(=O)Cl	307447825	QCHSJVMROSYPMA-RQJHMYQMSA-N	212.698	1.370	70	20	BDID	
CCO[C@H]1C[C@H](NC(=O)CCN)C12CCCC2	161111024	PLGZGJMPOAILRZ-QWRGUYRKSA-N	240.347	1.189	70	20	BDID	
O=c1c2ccccc2nnn1Cc1nccs1	161163887	KUHSORMOOYXADC-UHFFFAOYSA-N	244.279	1.296	70	20	BDID	
O=C(NCCc1cccnc1)[C@H]1CCCCO1	161473691	GHBIVXMYOFXOIU-GFCCVEGCSA-N	234.299	1.309	70	20	BDID	
C[C@H](CC1CC1)NC(=O)N[C@@H]1CCOC1	159405596	VZUSNPBFAIKGGY-PSASIEDQSA-N	212.293	1.263	70	20	BDID	
C[C@@]1(CNC(=O)N[C@@H]2CCOC2)CCCS1	159428143	WEESLASUKLKGMY-KOLCDFICSA-N	244.360	1.360	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cnsn1	159598584	OEOQWNKWPZFZIN-SFYZADRCSA-N	225.317	1.847	70	20	BDID	
C[C@@H]1CCCCN1C(=O)N[C@H]1CCOC1	159452393	IFSIFAPSCDQWFY-ZJUUUORDSA-N	212.293	1.359	70	20	BDID	
CCCCCC(=O)NCC[C@H](O)COC	161040505	KAOYAKJPMMVZGI-JTQLQIEISA-N	217.309	1.080	70	20	BDID	
N[C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)o2)C1	161135073	HHPGPBIHJAXRBG-SFYZADRCSA-N	242.706	1.933	70	20	BDID	
Cn1c(Cl)nc(S(=O)(=O)Cl)c1Cl	100448745	RIYXETKUJUISMD-UHFFFAOYSA-N	249.506	1.654	70	20	BDID	
CN(CCC1CCOCC1)C(=O)[C@@H]1CCCN1	161403611	DKVJLJVZAAQXPO-LBPRGKRZSA-N	240.347	1.014	70	20	BDID	
COCC(C)(C)C(=O)NC[C@@H](C)SC	161378043	HCNHFCULSWJGQQ-MRVPVSSYSA-N	219.350	1.527	70	20	BDID	
CCN(CC(=O)Nc1cc(OC)ccn1)C1CC1	161419918	YDGAYRXJWMCYOQ-UHFFFAOYSA-N	249.314	1.513	70	20	BDID	
CCN(C)CCNC(=O)[C@H](C)c1cccs1	160149190	JXNWITZYVQTYFR-SNVBAGLBSA-N	240.372	1.920	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)C(C)C	160434560	IJCPVHHDKBOVNH-QMMMGPOBSA-N	201.266	1.100	70	20	BDID	
CNC(=O)c1cc(NCCOC(C)C)ccn1	160598899	UAXFIWLMIBLKFY-UHFFFAOYSA-N	237.303	1.278	70	20	BDID	
CN(C)CC(=O)N[C@H]1[C@H]2Cc3ccccc3[C@@H]21	160600672	AABCADPDKSMKLZ-UBHSHLNASA-N	230.311	1.003	70	20	BDID	
CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@@H]2C1)N(C)C	159423063	RTPRALFUPUKOOO-UPJWGTAASA-N	238.375	1.831	70	20	BDID	
CN(Cc1cscn1)C(=O)N[C@@H]1CCOC1	159443135	UXATUVJWAXMSHA-MRVPVSSYSA-N	241.316	1.073	70	20	BDID	
Cn1cc(CNC(=O)NC2(C)CCC2)cn1	159911569	CEIOUOHIPOXPAW-UHFFFAOYSA-N	222.292	1.162	70	20	BDID	
COC(=O)[C@@H]1CCCC[C@@H]1S(=O)(=O)F	238854270	NFQHSHVCUVXEIF-RQJHMYQMSA-N	224.253	1.018	70	20	BDID	
CCc1nc(CN[C@H](C)c2cccnc2)n[nH]1	160276585	QDDHMPRNFUTVLQ-SECBINFHSA-N	231.303	1.613	70	20	BDID	
CN(CCC(C)(C)C)CC(=O)N(C)C	161256447	IDETXUKBLXPXNA-UHFFFAOYSA-N	200.326	1.443	70	20	BDID	
CCN1CCN(C(=S)NCC(C)C)C[C@@H]1C	159747029	REVKXFDZSULZKV-NSHDSACASA-N	243.420	1.543	70	20	BDID	
C[C@@H](CN[C@H](C)c1cscn1)N(C)C	161188442	NVRIQBDPOADROI-DTWKUNHWSA-N	213.350	1.744	70	20	BDID	
Cc1nccc(N(C)[C@H]2CCN(C)C[C@@H]2C)n1	160425967	RJIMKIQSMSROJJ-JQWIXIFHSA-N	234.347	1.561	70	20	BDID	
Cc1cc(C(=O)NCC2(C3CC3)CC2)on1	159992605	UKBQYVYGRBEVIT-UHFFFAOYSA-N	220.272	1.903	70	20	BDID	
O=S(=O)(Cl)CCCCO[C@@H]1CCOC1	114258413	KNPNBTGBPZSCSA-MRVPVSSYSA-N	242.724	1.141	70	20	BDID	
C[C@H](NC(=O)[C@]1(C)CCCCN1)C1CC1	159558344	PPBHOKKCAQRIBE-CABZTGNLSA-N	210.321	1.433	70	20	BDID	
CC[C@@H](C)NC(=O)N[C@H]1CC(=O)N(C(C)C)C1	217287986	FMECXNFHJLHIQI-ZJUUUORDSA-N	241.335	1.093	70	20	BDID	
O=C(NN1CCCCC1)c1ccc(F)nc1	159920648	YPFLDURKCLTUDN-UHFFFAOYSA-N	223.251	1.351	70	20	BDID	
CCC[C@@H](O)CNCc1ccnn1CC	160641381	JGJJPHOQSLUXLX-LLVKDONJSA-N	211.309	1.154	70	20	BDID	
Cc1ccc(OC(=O)NS(=O)(=O)Cl)cc1	100634756	IJJWMUPAVCQONZ-UHFFFAOYSA-N	249.675	1.567	70	20	BDID	in-vitro
Cc1cc(C[C@@H](C)NC(=O)C2CC=CC2)n[nH]1	161071760	VIFGGTBOJKDGEB-SECBINFHSA-N	233.315	1.732	70	20	BDID	
CNC(=O)C(C)(C)CNc1cc(C)nc(C)n1	161075187	DVQHKPOGMDQHHS-UHFFFAOYSA-N	236.319	1.278	70	20	BDID	
CCCOCC(=O)N1CCCN(CCC)CC1	160366052	UPJBIUDFFIBOIR-UHFFFAOYSA-N	242.363	1.357	70	20	BDID	
CCCC1(CNC(=O)c2cnsn2)CC1	160797323	KJNHPWUEWJAJLQ-UHFFFAOYSA-N	225.317	1.848	70	20	BDID	
COCC(=O)N[C@H]1CCOC2(CCCC2)C1	159924918	CLKXOXWTXHYCLB-JTQLQIEISA-N	227.304	1.241	70	20	BDID	
C[C@@H](Nc1nccn(C)c1=O)C1CCC1	160067109	FRLRYVWYQUMZQR-MRVPVSSYSA-N	207.277	1.381	70	20	BDID	
CCNCC(=O)Nc1c(C)cccc1F	160323448	WUAUXWIYPVTBSV-UHFFFAOYSA-N	210.252	1.682	70	20	BDID	
O=S(=O)(Cl)[C@@H]1CCOC2(CCC2)C1	125804938	RKKNVNLREIVIRM-SSDOTTSWSA-N	224.709	1.657	70	20	BDID	
CC(=O)N1CCC[C@H](C(=O)NC2CC=CC2)C1	160857245	WMZQOIFBDNJFKW-NSHDSACASA-N	236.315	1.080	70	20	BDID	
CC1CCC(N(C)C(=O)N[C@H]2CCOC2)CC1	159453399	HJGPBSFMPVTMOW-CXQJBGSLSA-N	240.347	1.995	70	20	BDID	
CC[C@@H](C(N)=O)N(C)Cc1cccc(N(C)C)c1	159825276	DWTLZRDGVSZMRT-ZDUSSCGKSA-N	249.358	1.448	70	20	BDID	
CCCC[C@@H](SCC(=O)OC)C(=O)OC	160593084	HWKBTJYHXPGGBB-MRVPVSSYSA-N	234.317	1.624	70	20	BDID	
CC(=O)c1cc(S(=O)(=O)Cl)ccc1O	97956507	VCHBLXNEBGDDMH-UHFFFAOYSA-N	234.660	1.522	70	20	BDID	
NC(=O)[C@H]1CCCN1C/C=C/c1ccc(F)cc1	160347224	MFFKAOLXICZSKI-KNVIWWDSSA-N	248.301	1.789	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)C(C)(C)CC	160351149	YQFYLQBJBLHAMC-SECBINFHSA-N	229.320	1.881	70	20	BDID	
Cn1cnn(CCCOc2ccccc2)c1=O	160781940	XBBCTDWIOXOVBX-UHFFFAOYSA-N	233.271	1.051	70	20	BDID	
CCN(C)C(=O)NC[C@]1(C)CCCNC1	159987057	XOIRAAZZLOXROK-LLVKDONJSA-N	213.325	1.037	70	20	BDID	
CN(Cc1ccco1)S(=O)(=O)Cl	106891571	JHISLZUYDOVBQV-UHFFFAOYSA-N	209.654	1.195	70	20	BDID	
CC[C@H](CSC)Nc1cc(N)ncn1	217565478	JMCDBBMSIDZXPD-SSDOTTSWSA-N	212.322	1.612	70	20	BDID	
CC[C@@H](O)[C@@H]1CCCCN1CCn1ccnc1	159842139	YYBHZIBZWILUFQ-QWHCGFSZSA-N	237.347	1.509	70	20	BDID	
COc1ccnc(N[C@@H](CO)CC(C)(C)C)n1	161414524	CJCDSILLZBSDJU-SECBINFHSA-N	239.319	1.694	70	20	BDID	
C[C@H]1NCCC[C@@H]1NC(=O)c1cccs1	160539023	OQQORTSRSMBYTO-BDAKNGLRSA-N	224.329	1.618	70	20	BDID	
CC(C)(CCO)NC(=O)c1ccc(Cl)o1	160782260	BGCZFNHUFDSNDQ-UHFFFAOYSA-N	231.679	1.824	70	20	BDID	
COCCCOC(=O)c1cnccc1Cl	161408095	XPTXCRDIRBCGEN-UHFFFAOYSA-N	229.663	1.928	70	20	BDID	
CC(C)OCCOC(=O)c1ccncc1F	161433647	WXWRZGGOYLHZGD-UHFFFAOYSA-N	227.235	1.803	70	20	BDID	
C[C@]1(CS(=O)(=O)Cl)CCCS1	307410500	GPTAJPFOGMCWDF-ZCFIWIBFSA-N	214.739	1.841	70	20	BDID	
CC(C)CN1CCC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C	160457087	RTZLOGXMZAQKQO-XQQFMLRXSA-N	238.375	1.879	70	20	BDID	
C[C@@H](NCCO)c1ccc(N2CCCC2=O)cc1	159712851	WXDMRZQDYRWEJE-LLVKDONJSA-N	248.326	1.456	70	20	BDID	
CC[C@H](C)OCC(=O)NC[C@@H](C1CC1)N(C)C	159576800	NNSVDRRVGVFRQY-JQWIXIFHSA-N	242.363	1.258	70	20	BDID	
CCCC[C@@H](C(=O)OC)N(C)C[C@@H](C)O	159536876	ATILRYWCNXBGFS-ZJUUUORDSA-N	217.309	1.031	70	20	BDID	
CCOC(=O)CCC(=O)N[C@H](C)C1CCC1	160205295	FICCAUFICDWBNQ-SECBINFHSA-N	227.304	1.635	70	20	BDID	
CCC[C@@H](O)CN[C@@H](C)c1ccccn1	160891295	NKJSNTIOWLLPRW-WDEREUQCSA-N	208.305	1.893	70	20	BDID	
Cc1ccc(C(=O)C(=O)Nc2nc(C)no2)cc1	160104906	ACSSUHBLLPLBHB-UHFFFAOYSA-N	245.238	1.508	70	20	BDID	
O=C(NCCO)C1(Cc2ccccc2)CCC1	159455773	ZVPKZPLOGJAWKL-UHFFFAOYSA-N	233.311	1.508	70	20	BDID	
C[C@@H](CCO)NC(=O)N[C@H]1CC[C@@H](C)C[C@H]1C	159863002	YROYMDCYIMFVPH-WYUUTHIRSA-N	242.363	1.881	70	20	BDID	
COC(=O)c1ccc(N[C@@H](C)C2CCC2)nn1	159996370	TWTHHLOCBLSGAF-QMMMGPOBSA-N	235.287	1.864	70	20	BDID	
Cc1ncccc1CN1CCC(CC(N)=O)CC1	159829656	DFUKQGUYFOBBHA-UHFFFAOYSA-N	247.342	1.477	70	20	BDID	
CC[C@H](C)[C@@H](C)NC[C@@H](O)COC(C)C	218781234	NDZWGOMVCFUZBX-QJPTWQEYSA-N	217.353	1.797	70	20	BDID	
CCCCCNC(=O)C(=O)Nc1ccc(C)nc1	159703029	GHOIQVSABVCEGL-UHFFFAOYSA-N	249.314	1.635	70	20	BDID	
O=C(c1ccncc1)N1C[C@@H]2CCC[C@H](C1)N2	160436235	QOZHKEVCDSKEJL-TXEJJXNPSA-N	231.299	1.048	70	20	BDID	
NCC[C@H]1CCN(C[C@@H]2CCCCO2)C1	160041276	FGXJMZWAERCDLY-RYUDHWBXSA-N	212.337	1.226	70	20	BDID	
CC[C@@H]1CC[C@H](C)N1S(=O)(=O)Cl	136066315	KNALMJBJXANLTD-NKWVEPMBSA-N	211.714	1.733	70	20	BDID	
CS[C@H](C)CNC(=O)NC[C@@H]1CCCS1	160179143	KZDCFINKOXUAIJ-BDAKNGLRSA-N	248.417	1.933	70	20	BDID	
C[C@H](CO)N(C)C(=O)Cn1ccc2ccccc21	160393528	ZCIMYMZQJRXXIS-LLVKDONJSA-N	246.310	1.481	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)c1c[nH]nn1	159719887	GJTIVJZQAHSZIY-HTQZYQBOSA-N	208.265	1.113	70	20	BDID	
CC[C@@H](NCCCO)c1ccc(F)cn1	161312269	KLPRLGMHNDNSIM-SNVBAGLBSA-N	212.268	1.644	70	20	BDID	
CN(Cc1cccc(F)c1)S(=O)(=O)Cl	59128453	ACOYRGGDRPGFNM-UHFFFAOYSA-N	237.683	1.741	70	20	BDID	
C[C@H]1CN(CCNC(C)(C)C)[C@@H](C)CO1	218080566	PKWABLXHKPWZNO-QWRGUYRKSA-N	214.353	1.484	70	20	BDID	
CCC[C@@H](C)CC(=O)NCC[C@H](O)COC	161397185	FBBCIPLDSZDGTF-MNOVXSKESA-N	231.336	1.326	70	20	BDID	
Cc1ccc(C(=O)CCC(=O)N2CC(O)C2)cc1	161428705	XPPHENRLBDMZNF-UHFFFAOYSA-N	247.294	1.161	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H]1CC=CCC1	160860232	OAQKQMLSHSXRKA-WDEREUQCSA-N	239.315	1.801	70	20	BDID	
Cc1ccoc1C(=O)N(CC(N)=O)CC(C)C	159756870	PGDWZMBEZGYSBN-UHFFFAOYSA-N	238.287	1.172	70	20	BDID	
COC(=O)C1(N(C)Cc2ccon2)CCCC1	159490970	STDAWMXIENXHCE-UHFFFAOYSA-N	238.287	1.592	70	20	BDID	
NCCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1	159714760	YEYIELMPPYBSAW-CHWSQXEVSA-N	232.327	1.788	70	20	BDID	
CCN(C)C(=O)CNc1nccnc1Cl	218622807	RSWYHIKGZKFLEC-UHFFFAOYSA-N	228.683	1.020	70	20	BDID	
Cc1ccc(C(=O)N[C@@H]2CCC[C@H](N)C2)cc1	160967125	JCTVDSJBAKKWTP-QWHCGFSZSA-N	232.327	1.995	70	20	BDID	
CCC1(CNC(=O)[C@H]2CCCNC2)CC1	159632833	FJMNFTLQMOSLEB-JTQLQIEISA-N	210.321	1.292	70	20	BDID	
C[C@H](N)CN[C@H](C)Cc1ccc(F)cc1	218300085	XIYHAARGCWDGHR-VHSXEESVSA-N	210.296	1.694	70	20	BDID	
COCCN(Cc1ccc(C)o1)C(N)=O	160263036	UYXFBWTXUMVMLT-UHFFFAOYSA-N	212.249	1.115	70	20	BDID	
CC[C@@H](C)CS(=O)(=O)N[C@H](CC)COC	160324411	HXMUKFHLVMYFIC-NXEZZACHSA-N	237.365	1.377	70	20	BDID	
O=C(NCCCF)NCC1(C2CC2)CC1	160737567	JLBPAWBPLSBJNR-UHFFFAOYSA-N	214.284	1.835	70	20	BDID	
C[C@@H](CC(=O)N1CCC[C@H](O)C1)c1ccncc1	159822118	SJBPVVVDSOGBMK-AAEUAGOBSA-N	248.326	1.559	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)c1ccn(C)c(=O)c1	159778826	DYQGFIJLMVNDCI-CMPLNLGQSA-N	248.326	1.694	70	20	BDID	
CCN(Cc1nncn1C)C1CCCC1	160796381	CBZFNSMBJOHGPB-UHFFFAOYSA-N	208.309	1.580	70	20	BDID	
O=S(=O)(F)Oc1ccc2c(c1)CCOC2	1887503705	MNSJKAQMKRELPG-UHFFFAOYSA-N	232.232	1.352	70	20	BDID	
CCOCCCNC(=S)N(C)CCOCC	161486806	QEVIWPXCYLDEKO-UHFFFAOYSA-N	248.392	1.256	70	20	BDID	
O=S(=O)(Cl)[C@@H]1CCCC12CCOCC2	300954509	PMNWYHLNTDIUPY-MRVPVSSYSA-N	238.736	1.904	70	20	BDID	
CC1(NC(=O)CS(=O)(=O)C(C)(C)C)CCC1	161311349	JQJUUMBLZUMMBP-UHFFFAOYSA-N	247.360	1.259	70	20	BDID	
CC(C)CC1(C(=O)N2CC[C@@H](N)C2)CCC1	160219144	HQZHGDKETLMVGK-LLVKDONJSA-N	224.348	1.762	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)CC[C@H]1CCOC1	160934993	VUKSVWYDIFJTHZ-RYUDHWBXSA-N	243.347	1.326	70	20	BDID	
O=S(=O)(Cl)CC1(F)CCSCC1	1537958809	MPCRBERMDNTQHR-UHFFFAOYSA-N	232.729	1.790	70	20	BDID	
CN(C)c1ccccc1NC(=O)NC1(CO)CC1	160569140	XAHABOMCJYHHPB-UHFFFAOYSA-N	249.314	1.399	70	20	BDID	
O=C([C@H]1CCCO1)N1CCc2c(F)cccc2C1	160783223	MABXHHXQEQUHLN-CYBMUJFWSA-N	249.285	1.889	70	20	BDID	
C[C@@H]1CC[C@H](C(=O)Nc2ccncc2O)O1	159733382	OOFKNJWQVUEWOW-GMSGAONNSA-N	222.244	1.293	70	20	BDID	
Cc1cnccc1CNCCCN(C)C	160610197	VADVPEAGQVLQRS-UHFFFAOYSA-N	207.321	1.431	70	20	BDID	
C[C@@H](CO)SCCOCC(F)(F)F	160735230	LFLQCMKUWOQSDK-LURJTMIESA-N	218.240	1.679	70	20	BDID	
Cc1nn(C)c(C)c1[C@@H](C)S(=O)(=O)Cl	88251373	ZMZRVZDMXRUXHG-SSDOTTSWSA-N	236.724	1.667	70	20	BDID	
O=S(=O)(Cl)c1ncc(Cl)s1	97971815	AKEZZYXNUISBJX-UHFFFAOYSA-N	218.086	1.724	70	20	BDID	
CNCC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C	161420044	WDFPIPTWXDWCKJ-DGCLKSJQSA-N	232.327	1.610	70	20	BDID	
CCN1CCCC[C@@H]1CN[C@@H](COC)C1CC1	161215067	OBIDWPBQPSQJSH-KGLIPLIRSA-N	240.391	1.875	70	20	BDID	
CCN(CC)CCCS(=O)(=O)C(C)C	160569547	NITAVQNOYJDIOP-UHFFFAOYSA-N	221.366	1.542	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)CCn1cncn1	159646610	CYRLVMHIGAUIJF-GHMZBOCLSA-N	236.319	1.363	70	20	BDID	
CC1(C(=O)N2CCN(c3ccncc3)CC2)CC1	159499396	ZTYNQOCXNPXYIG-UHFFFAOYSA-N	245.326	1.530	70	20	BDID	
CC[C@H](C)C(=O)Nc1c[nH]c(=O)c(C)c1	159527523	XQPAMCCYPLKPFX-ZETCQYMHSA-N	208.261	1.668	70	20	BDID	
CC[C@H](CCO)N[C@@H]1CCCC[C@@H]1CN	217690609	KYOOFLBEPZMQLV-IJLUTSLNSA-N	214.353	1.255	70	20	BDID	
CO[C@@H]1CCCN(CCOCC2CC2)C1	160439322	VXZZOYSNMHUAIY-GFCCVEGCSA-N	213.321	1.524	70	20	BDID	
C[C@@H](CO)SCC(=O)NCc1cccs1	160774206	DKBIXGAMYJKPHW-QMMMGPOBSA-N	245.369	1.478	70	20	BDID	
Cc1cc(C(=O)N2CCOC[C@H]2C2CC2)ncn1	161281219	PDAPVCOWSVRRCG-LBPRGKRZSA-N	247.298	1.036	70	20	BDID	
C[C@@H](NC(=O)NC1(C)CCC1)c1cnn(C)c1	161487895	YGSUARWMICEGID-SECBINFHSA-N	236.319	1.723	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)c1ccc(=O)n(C)c1	159757894	VJFJIMSOWSAJOA-CMPLNLGQSA-N	248.326	1.694	70	20	BDID	
COc1ccc(C(=O)Nc2ccncc2C)nn1	159388424	CKAVYZVSEHXEJY-UHFFFAOYSA-N	244.254	1.441	70	20	BDID	
CC[C@@H](C)C(=O)NC[C@](C)(O)CSC	217633962	ANMSJBXHKNVVNJ-SCZZXKLOSA-N	219.350	1.263	70	20	BDID	
NC[C@@H]1CCCN(C[C@@H]2CCCCO2)C1	218469965	SIKLNFQMZFYTHT-RYUDHWBXSA-N	212.337	1.226	70	20	BDID	
Cc1ccc(C(=O)N2[C@@H](C)CC[C@@H]2C)c(=O)[nH]1	161471024	SRPIEGZJXOPQDF-UWVGGRQHSA-N	234.299	1.696	70	20	BDID	
O=c1sc2c(n1CCO)CCCCC2	160002073	ZZNKBWFGQQHWBL-UHFFFAOYSA-N	213.302	1.171	70	20	BDID	
COCC[C@H](C)N[C@@H](CCO)CSC	160376709	FJGCFCMZXBEPJX-UWVGGRQHSA-N	221.366	1.115	70	20	BDID	
CCOCCNC(=O)[C@H]1CCC[C@@H](C)C1	160907703	VBOUZEJXPXRBCJ-MNOVXSKESA-N	213.321	1.965	70	20	BDID	
O=C1CCCN1C(=O)CSc1ccncc1	159931697	ZXFNOQDDUZZLTQ-UHFFFAOYSA-N	236.296	1.323	70	20	BDID	
CC[C@@H](C)CN(CC)C(=O)N[C@@H]1CCOC1	159544051	SGKWVCDHKQZESR-GHMZBOCLSA-N	228.336	1.853	70	20	BDID	
CCC[C@@H]1CN(Cc2n[nH]c(CC)n2)CCO1	159574756	CCYITMBKBYWUBX-SNVBAGLBSA-N	238.335	1.368	70	20	BDID	
CC(C)Cc1nc(C(=O)NCCO)cs1	159395882	LOTQLJXWATYYCE-UHFFFAOYSA-N	228.317	1.064	70	20	BDID	
CC[C@H](CCO)N[C@H]1CCCC[C@@H]1CN	217690774	KYOOFLBEPZMQLV-UTUOFQBUSA-N	214.353	1.255	70	20	BDID	
CCNC(=O)CN(CC)CCC(C)(C)C	160086197	LZCRKGDTSIHRSE-UHFFFAOYSA-N	214.353	1.881	70	20	BDID	
CCNC(=O)[C@@H](C)N[C@@H](C)c1cscn1	161142366	USBTUHZXUKOCLG-JGVFFNPUSA-N	227.333	1.318	70	20	BDID	
CC[C@H](CCO)N[C@H]1CS[C@@H](C)C1	217691334	ISYBGEJSHQKWJB-IVZWLZJFSA-N	203.351	1.631	70	20	BDID	
CCc1nn(C)cc1CS(=O)(=O)Cl	157205411	QTAMKUCZJNNVSP-UHFFFAOYSA-N	222.697	1.051	70	20	BDID	
C[C@@H](OC[C@@H]1CCCO1)C(=O)NC1CC=CC1	161009201	LAGLCTMXERVEHZ-PWSUYJOCSA-N	239.315	1.405	70	20	BDID	
CC(=O)c1ccc(C(=O)NC[C@H](O)C(C)C)cc1	159700071	AJGZKGZHOUKTON-ZDUSSCGKSA-N	249.310	1.636	70	20	BDID	
CCCOCC(=O)N1CC[C@H]2CC[C@@H](C1)N2C	217722192	KYSAEQAHNJZOTC-NEPJUHHUSA-N	240.347	1.108	70	20	BDID	
COc1cc(C)nc(Cn2cccc(C)c2=O)c1	160974191	YWZCNTQAUWPHRQ-UHFFFAOYSA-N	244.294	1.917	70	20	BDID	
CC1(C)Cc2cccc(OS(=O)(=O)F)c2O1	1887503908	VPZPQCIYAWATBV-UHFFFAOYSA-N	246.259	1.993	70	20	BDID	
Cn1c(C(=O)N2C[C@@H]3CC[C@H]2C3)cccc1=O	160723323	BIMRPMKJKDQAAA-ZJUUUORDSA-N	232.283	1.010	70	20	BDID	
CN1CCc2cc(S(=O)(=O)Cl)ccc21	104552004	PWBKBILUBLCFRZ-UHFFFAOYSA-N	231.704	1.606	70	20	BDID	
CC(=O)NC1CCC(NC[C@@H]2CCCO2)CC1	161217615	IRILZZSOKJIJEZ-BPCQOVAHSA-N	240.347	1.202	70	20	BDID	
O=S(=O)(Cl)Cc1cnc(Cl)s1	118905720	SBSHEZIKHLVTDJ-UHFFFAOYSA-N	232.113	1.865	70	20	BDID	
c1cc(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)n[nH]1	159611403	FMIMDKLHTQEZSN-TUAOUCFPSA-N	233.315	1.457	70	20	BDID	
C[C@@H]1CN(CCOCC2CC2)CC(C)(C)O1	159665115	HABHEFRSOVVEQJ-LLVKDONJSA-N	227.348	1.912	70	20	BDID	
Cc1nc(Cl)cc(NCCn2ccnn2)n1	159624222	LPRVAEUDQIEVQD-UHFFFAOYSA-N	238.682	1.142	70	20	BDID	
CCNC(=O)CN1CCC[C@@H]1c1cccc(C)n1	159763646	XVVDRRYCWNXKEU-CYBMUJFWSA-N	247.342	1.663	70	20	BDID	
CC[C@H]1CCCN1C(=O)N[C@@H]1CCOC1	159446226	SWLDZHQMQWIWFR-ZJUUUORDSA-N	212.293	1.359	70	20	BDID	
Cc1occc1C(=O)N(CC(N)=O)CC(C)C	159775910	QTVRWPDLUNCPFY-UHFFFAOYSA-N	238.287	1.172	70	20	BDID	
C[C@@H]1CCN(S(=O)(=O)N(C)C)C[C@H](C)C1	159702144	ZNIDUBOKYGZZIX-NXEZZACHSA-N	234.365	1.161	70	20	BDID	
O=C(c1ccnc(Cl)c1F)N1CC[C@H](O)C1	159568120	LGPNCYBKTMIRMS-LURJTMIESA-N	244.653	1.081	70	20	BDID	
CCCN(CCO)Cc1cccc(OCC)n1	161215261	BJTBGKQLNPSZNG-UHFFFAOYSA-N	238.331	1.685	70	20	BDID	
C[C@H]1CCC[C@@H](CO)N1CCC(C)(C)O	161242287	GCNMWOYLQXCPNM-QWRGUYRKSA-N	215.337	1.383	70	20	BDID	
CC(C)c1nc(C(=O)NCC(C)(C)N)cs1	160050778	ZZRFGXCGOWRHAJ-UHFFFAOYSA-N	241.360	1.734	70	20	BDID	
CCc1noc(C)c1CSCC(=O)NC	160081475	DWSSVHVXTKHFBA-UHFFFAOYSA-N	228.317	1.525	70	20	BDID	
C[C@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@@H](C)O1	160968846	FFDMYAGWALGOCD-AXFHLTTASA-N	227.304	1.191	70	20	BDID	
CN(C)C(=O)c1ccnc(OCC(F)(F)F)c1	159818324	NUZSQJWSAITSQT-UHFFFAOYSA-N	248.204	1.725	70	20	BDID	
C[C@@H](CNC(=O)N[C@H]1CCOC1)C1CC1	159423676	ZTBOJZCGODAVPB-WPRPVWTQSA-N	212.293	1.121	70	20	BDID	
CCn1cnnc1CNCc1ccsc1	218228591	LEFYRJKMUVRNPI-UHFFFAOYSA-N	222.317	1.649	70	20	BDID	
CC(C)NC(=S)N[C@@]1(C)CCOC1	160041773	DSTYWUWVQUBOBT-VIFPVBQESA-N	202.323	1.038	70	20	BDID	
C/C=C/C=C/C(=O)N[C@@H]1CCC[C@@H]1CO	217921293	MIQJWLOOFVMOTL-ZTFVQYCTSA-N	209.289	1.396	70	20	BDID	
CSC[C@H](CCO)N[C@@H](C)[C@@H]1CCOC1	160200016	YOFORSLRAHNDCZ-AXFHLTTASA-N	233.377	1.115	70	20	BDID	
CC(C)[C@@H](O)CN[C@H](C)c1ccccn1	160892362	XSSZXSAIMVQCNM-PWSUYJOCSA-N	208.305	1.749	70	20	BDID	
O=S(=O)(F)CCn1ccc(C(F)(F)F)n1	883953531	ZCSKUNWJMPHVAE-UHFFFAOYSA-N	246.185	1.201	70	20	BDID	
CC[C@H](CCO)Nc1ccc(Cl)nn1	217997669	QDCHFMVESMDLEA-SSDOTTSWSA-N	215.684	1.703	70	20	BDID	
CC[C@@H](C)C(=O)N1CCS(=O)(=O)C(C)(C)C1	160053894	BWNYWIOECBABAG-SECBINFHSA-N	247.360	1.068	70	20	BDID	
CC(C)(CO)[C@@H](CNC(N)=O)c1ccccc1	160972792	KPXHFQFVHHPIQB-NSHDSACASA-N	236.315	1.457	70	20	BDID	
CCCc1ncc(C(=O)N(C)[C@H](C)CO)s1	160456048	JYQXPCFRUMWCFW-MRVPVSSYSA-N	242.344	1.548	70	20	BDID	
C[C@H](N)C(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C	160902398	ZRXMOHLCBMEDHS-GVXVVHGQSA-N	232.327	1.738	70	20	BDID	
C[C@@H](NC(=O)N[C@H]1CCOC1)c1cccnc1	159441097	RQXNKSZCFHISKB-KOLCDFICSA-N	235.287	1.231	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CC(=O)N(C)C1	159733332	SANOJIZGUIDVOY-MXWKQRLJSA-N	238.331	1.160	70	20	BDID	
CC[C@H]1C[C@H](N[C@H](CC)CCO)CCO1	217690244	ZBSNJBYDLOEMFU-UTUOFQBUSA-N	215.337	1.695	70	20	BDID	
CCC(CC)(CN)C(=O)NCC[C@H](O)C(C)C	161231834	PVFFMMKROGKDGS-NSHDSACASA-N	244.379	1.275	70	20	BDID	
CCc1cc(O)nc(CN2CCCCC2)n1	160457380	JQLWHXQJIPQOMQ-UHFFFAOYSA-N	221.304	1.731	70	20	BDID	
CSC[C@@H](C)NC(=O)c1ccncc1F	161404680	ZHPOHDVLNCDEAC-SSDOTTSWSA-N	228.292	1.702	70	20	BDID	
CC[C@@H]1C(=O)NCCN1c1ccnc(C(C)C)n1	160416484	DAFKXKIFCODPDB-SNVBAGLBSA-N	248.330	1.315	70	20	BDID	
CC[C@H](C)OCC(=O)N[C@@H]1CCCSC1	160830460	IITCRMFBUIHMFF-VHSXEESVSA-N	231.361	1.813	70	20	BDID	
CN1CCC(N(C)C(=O)Nc2ccncc2)CC1	217309283	OLXITEDYBXWBHC-UHFFFAOYSA-N	248.330	1.640	70	20	BDID	
C[C@@H](NCCC(C)(C)O)c1cnn(C)c1	159842365	VWBDDLNEGZBMQX-SECBINFHSA-N	211.309	1.232	70	20	BDID	
CO[C@@H](C)C(=O)Nc1ccc(C)c(O)c1	160865443	HAYSPJJVEIXUPN-QMMMGPOBSA-N	209.245	1.674	70	20	BDID	
COCC(C)(C)C(=O)NCC(C)(C)CN(C)C	160334881	IKBQOXYZJHJNHA-UHFFFAOYSA-N	244.379	1.363	70	20	BDID	
Cc1ccc(CN2CCC[C@H]2C(N)=O)c(C)c1	160338866	CVEWIYUZEACIDW-ZDUSSCGKSA-N	232.327	1.753	70	20	BDID	
COC(=O)c1ccc(CS[C@H](C)CO)o1	160747839	LNBCPCIJFDDNCB-SSDOTTSWSA-N	230.285	1.680	70	20	BDID	
CC[C@@](C)(O)CNc1ncccc1OC	159597526	SLIMFVNAEQFNJG-LLVKDONJSA-N	210.277	1.663	70	20	BDID	
O=C(CC(F)(F)F)N[C@H]1CCC[C@H]1CO	217875566	GPMXEVSEXRVJRP-BQBZGAKWSA-N	225.210	1.216	70	20	BDID	
C[C@@H](N)C(=O)N1CCc2c(Cl)cccc21	160587849	KFXIOHVAANMOLL-SSDOTTSWSA-N	224.691	1.576	70	20	BDID	
O=S(=O)(Cl)c1cn(CC(F)(F)F)cn1	112140491	ADPYJZIMKJKNGI-UHFFFAOYSA-N	248.613	1.373	70	20	BDID	
C[C@H](CO)SCC(=O)Nc1ccccc1	160737142	IUNQKRHJAALFKE-SECBINFHSA-N	225.313	1.739	70	20	BDID	
C[C@H](CCO)CN[C@H](C)c1cscn1	161215167	YZUFXVHGALCPAY-RKDXNWHRSA-N	214.334	1.812	70	20	BDID	
CC(C)[C@H](O)CN[C@H](C)c1ccncc1	161234710	DOSRMNSFKWEAIU-ZYHUDNBSSA-N	208.305	1.749	70	20	BDID	
CC[C@H](C)N(C)CCNC(=O)N1CCCCC1	217401951	KCYLKNYOTTYFET-LBPRGKRZSA-N	241.379	1.912	70	20	BDID	
CC(C)N(C(=O)[C@H](C)N(C)C[C@@H](C)O)C(C)C	159392139	JBNBHKJVZJSDNU-NEPJUHHUSA-N	244.379	1.333	70	20	BDID	
COCC(C)(C)C(=O)NOCc1cccnc1	161042806	NLCLBMCZNYEGCE-UHFFFAOYSA-N	238.287	1.302	70	20	BDID	
C[C@@H](Cc1ccc(Cl)cc1)N(C)C(=O)CN	161051741	LBJZJPRYCKSJPS-VIFPVBQESA-N	240.734	1.688	70	20	BDID	
CNCCNCc1cc(F)c(F)c(F)c1	161270013	PNYSDXSAUOMQEQ-UHFFFAOYSA-N	218.222	1.413	70	20	BDID	
CN(C)[C@H](C(=O)NCC(C)(C)N)c1ccccc1	160022942	DRGVYPLFSREJGZ-LBPRGKRZSA-N	249.358	1.143	70	20	BDID	
Cc1ccc(/C=C/C(=O)N2CCC[C@H]2CN)o1	160224779	USCCAHBUCBXUHH-MLRMMBSGSA-N	234.299	1.551	70	20	BDID	
COC(=O)C1(C(=O)Nc2cccc(F)n2)CC1	160610564	URYFDKQCZXJYPU-UHFFFAOYSA-N	238.218	1.112	70	20	BDID	
COc1cccnc1NC[C@@H]1CCCOC1	159454968	ZMPONBUNMNXVTG-JTQLQIEISA-N	222.288	1.929	70	20	BDID	
CCCS(=O)(=O)CCS[C@@H](C)CCO	217973280	GMUGYSUMKHLBRP-VIFPVBQESA-N	240.390	1.315	70	20	BDID	
CN1CCN(C(=O)NCC2CCCC2)CC1	217567465	YWIYNBSUNYZYLS-UHFFFAOYSA-N	225.336	1.134	70	20	BDID	
C[C@H]1[C@@H](C)SCCN1C(=O)CNC1CC1	159623175	CZLBZAAEPVJGNL-DTWKUNHWSA-N	228.361	1.091	70	20	BDID	
O=S(=O)(Cl)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1F	1537958806	MHDNKSNPTJQBNA-ZTYPAOSTSA-N	212.673	1.692	70	20	BDID	
CC(C)CNC(=S)N[C@]1(C)CCOC1	160041912	KNTZBPSMGYWTPI-SNVBAGLBSA-N	216.350	1.286	70	20	BDID	
NC(=O)c1ccc(OCC(F)F)cc1	159528062	MOEKLBNFJDWGMZ-UHFFFAOYSA-N	201.172	1.429	70	20	BDID	
CC(=O)N1CC[C@@H](NC(=O)/C=C/C(C)(C)C)C1	159742072	JWFRSXDDUDVXOL-OKPNEXGHSA-N	238.331	1.326	70	20	BDID	
C[C@@]1(C(=O)N2CCCC2)C[C@H]1Br	141211758	QHHUVBWNQPNCCC-VXNVDRBHSA-N	232.121	1.782	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(=O)[nH]n1	159607718	CWTPRFZKCBGZTQ-BDAKNGLRSA-N	235.287	1.078	70	20	BDID	
Cc1nnc2c(NC[C@@H]3CC3(C)C)nccn12	218054105	ZFCDCKPDXVSOBN-VIFPVBQESA-N	231.303	1.891	70	20	BDID	
CC[C@H](CCO)NC(=O)[C@@H](C)C(C)C	160117321	PTFMGBBKJKRMPZ-VHSXEESVSA-N	201.310	1.556	70	20	BDID	
CCc1noc(Cn2cnc3c2CCCC3)n1	160726146	HVSQFEGLUDJOBH-UHFFFAOYSA-N	232.287	1.756	70	20	BDID	
CSc1cc(C(=O)NC2(CO)CC2)ccn1	160354860	GIIYNGHMACCXFI-UHFFFAOYSA-N	238.312	1.058	70	20	BDID	
CCCNS(=O)(=O)N[C@H]1CC[C@@H](C)C1	160466117	RYIZQYIQTZOJLH-BDAKNGLRSA-N	220.338	1.009	70	20	BDID	
COC(=O)[C@H](C)CNC(=O)c1cc(C)c(C)o1	159788254	PIJAOZTWIOJUGI-MRVPVSSYSA-N	239.271	1.435	70	20	BDID	
CNC(=O)[C@H]1CCC[C@H]1NC(=O)OC(C)(C)C	159408459	VELXQBSBYVBFLL-DTWKUNHWSA-N	242.319	1.426	70	20	BDID	
CCCOC[C@H](C)CS(=O)(=O)Cl	112159730	PNIDOVXIJAIERP-ZETCQYMHSA-N	214.714	1.618	70	20	BDID	
OCCNCc1c(F)cccc1Br	160260946	MBTBRZNWKCQCMM-UHFFFAOYSA-N	248.095	1.670	70	20	BDID	
N[C@@H]1CCC[C@H](NC(=O)c2ccc[nH]2)C1	161348047	IUUAVTWWGYIFKY-BDAKNGLRSA-N	207.277	1.014	70	20	BDID	
NC(=O)NCC1(Cc2ccccc2)CC1	161142711	ZBMPVKOBLHOWMB-UHFFFAOYSA-N	204.273	1.678	70	20	BDID	
CN(C(=O)[C@@H]1CCOC1)c1ccc2c(c1)OCO2	160256033	ZRMQZKUNXBSLOT-SECBINFHSA-N	249.266	1.415	70	20	BDID	
C[C@H]1CC[C@H](C(=O)NCCc2ccccc2O)O1	159644736	WEERUGNYGMIIOP-GXFFZTMASA-N	249.310	1.618	70	20	BDID	
CCOCCCN[C@H]1C[C@@H](O)C1(C)C	159547009	QVACMXGTVBHBKW-VHSXEESVSA-N	201.310	1.162	70	20	BDID	
CC(C)C[C@@H]1CCCN1C(=O)N1CCOCC1	217782609	VFZFKWSHYMHVDI-LBPRGKRZSA-N	240.347	1.949	70	20	BDID	
CONC(=O)c1c(C(C)C)nn(C)c1Cl	159852185	SIGHIGVIRPEFAH-UHFFFAOYSA-N	231.683	1.488	70	20	BDID	
COc1ccc(NC(=O)c2cc(C)ncn2)cn1	161183368	HUUMXWMLKPGJET-UHFFFAOYSA-N	244.254	1.441	70	20	BDID	
CNC[C@@H]1CCCN1C(=O)C=C1CCC1	161208866	QERINYXAAQYRGR-NSHDSACASA-N	208.305	1.307	70	20	BDID	
Cc1ccc(NC(=O)[C@H](C)N)cc1OC(F)F	160091473	DQLVBIVJTRBFQF-ZETCQYMHSA-N	244.241	1.882	70	20	BDID	
CC(C)CCCNC(=O)N1CCC[C@@](C)(O)C1	160282385	BEOYLXLOGLRVJW-CYBMUJFWSA-N	242.363	1.979	70	20	BDID	
COC(=O)CCNC(=O)[C@H]1CCC[C@H](C)C1	159837147	GCRGCQLBOMZPMV-UWVGGRQHSA-N	227.304	1.492	70	20	BDID	
C[C@@H]1C(=O)N(Cc2nccs2)C(=O)[C@H]1C	161385644	YWSPIUZPVMCOAO-BQBZGAKWSA-N	224.285	1.284	70	20	BDID	
CO[C@H]1CN[C@@H](C(=O)O[C@@H]2CCC[C@@H](C)C2)C1	217421903	QXJUNYHWNZSDJS-DDHJBXDOSA-N	241.331	1.485	70	20	BDID	
C[C@H](O)C[C@H]1CCCN1Cc1cscn1	159372941	LSPKEDCGFLVZCU-GXSJLCMTSA-N	226.345	1.878	70	20	BDID	
Cc1cc(Cl)ccc1C(=O)N[C@H](C)C(N)=O	160193823	JKFFGVGUDUGFNX-SSDOTTSWSA-N	240.690	1.252	70	20	BDID	
O=C(NCCCF)c1ncn(-c2ccccc2)n1	160611504	KJFCZQUODGNMHC-UHFFFAOYSA-N	248.261	1.357	70	20	BDID	
Cc1cc(N2CCCC3(C2)OCCO3)ccn1	160921794	XWCZCHUQPMAQED-UHFFFAOYSA-N	234.299	1.733	70	20	BDID	
Cc1cccc(C(=O)N(CC(N)=O)CC(C)C)c1	159816226	QEMPLIOVCHIPJB-UHFFFAOYSA-N	248.326	1.579	70	20	BDID	
O=C(/C=C/C1CCCCC1)N1CCNCC1	159361759	UQCPCOMVDVOSEO-VOTSOKGWSA-N	222.332	1.555	70	20	BDID	
CCC(N)(CC)CNC(=O)c1ccnc(C)n1	160502515	QDZGCBZCCSXUKP-UHFFFAOYSA-N	236.319	1.032	70	20	BDID	
O=C([C@H]1CSCN1)N1CCC2(CCC2)C1	160619883	KIPLQNBJWWFTIW-SECBINFHSA-N	226.345	1.052	70	20	BDID	
C[C@H](CO)SCc1noc(C2CC2)n1	160771552	CMZGGZDYAOMFRB-ZCFIWIBFSA-N	214.290	1.561	70	20	BDID	
O=C(Nc1ccccc1F)N[C@H]1CCOC1	159391819	DENRHPRLOAPVPG-QMMMGPOBSA-N	224.235	1.736	70	20	BDID	
COc1ccnc(N[C@@H]2CCO[C@@H](C3CC3)C2)n1	160290062	NMHSPENFAIPMHL-GHMZBOCLSA-N	249.314	1.855	70	20	BDID	
CC[C@H](N[C@H]1CCc2nc(C)nn2C1)C(C)C	160482482	BNBUMHJJWKOIDX-RYUDHWBXSA-N	236.363	1.926	70	20	BDID	
O=C(NCC1=CCNCC1)c1cccs1	160514056	GARRACOSOOAUNF-UHFFFAOYSA-N	222.313	1.398	70	20	BDID	
CCOCCCN(CCOC)CC(F)F	160556014	OFSQTBRTSRUNPQ-UHFFFAOYSA-N	225.279	1.627	70	20	BDID	
CCCN(CC(=O)NC)C(=O)C[C@H](C)SC	160727026	FFWIYQOFOMVBEV-VIFPVBQESA-N	246.376	1.113	70	20	BDID	
CC[C@H](O)CCN[C@H]1CCCC[C@@H]1CN	218753471	CWXDTIMBXKHQQS-WOPDTQHZSA-N	214.353	1.255	70	20	BDID	
C[C@@H](C(=O)N[C@@H]1CCC[C@@H]1CO)C1CC1	217981532	DVWMIOVDDFMVCL-FBIMIBRVSA-N	211.305	1.310	70	20	BDID	
Cc1ccc(NC(=O)N[C@H]2CCOC2)cc1	159390565	GKJKMRQLWHKVJW-NSHDSACASA-N	220.272	1.905	70	20	BDID	
Cc1ccc(CN2CCO[C@H](CN)C2)s1	159504198	MWNHQSJKXSBDCU-SNVBAGLBSA-N	226.345	1.216	70	20	BDID	
Cc1cnc(N[C@@H]2CCCN[C@@H]2C)nc1	160553837	PRMABKIIVAZIHQ-NXEZZACHSA-N	206.293	1.337	70	20	BDID	
N#Cc1ccc(OS(=O)(=O)CCl)cc1	144792520	RUNVMKJLMYWWRQ-UHFFFAOYSA-N	231.660	1.463	70	20	BDID	
Cc1ccc(F)cc1NC(=O)c1ccc(=O)[nH]n1	217517967	XWGAZKHAXGGRHQ-UHFFFAOYSA-N	247.229	1.470	70	20	BDID	
C[C@@H](N[C@@H]1CCC[C@H](N(C)C)C1)[C@H]1CCOC1	161027127	AFNWDBFJZJVSSY-RQJABVFESA-N	240.391	1.874	70	20	BDID	
C[C@H](NC(=O)NOCc1cccnc1)C1CC1	161020950	KGNWZAIUIRGYPM-VIFPVBQESA-N	235.287	1.611	70	20	BDID	
CN(CCc1ccccn1)C(=O)[C@@H]1CCCCO1	161152286	AZPGLFJNBSYOEZ-ZDUSSCGKSA-N	248.326	1.652	70	20	BDID	
C[C@H]1CCCCN1CCCCNC(=N)N	161508158	CLQFBWTYPBNJLM-JTQLQIEISA-N	212.341	1.124	70	20	BDID	
Cc1cc(C(=O)N2C[C@@H](C)OC(C)(C)C2)ncn1	160487111	BNRFHTFJWIXVFV-SNVBAGLBSA-N	249.314	1.425	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1cc(C(N)=O)c[nH]1	159621602	WEEXDKQKVJRVOX-SCZZXKLOSA-N	249.314	1.422	70	20	BDID	
CCC(CC)CC(=O)NCC[C@@H](O)COC	160973640	CBRJSYOKIMSRKJ-LLVKDONJSA-N	231.336	1.326	70	20	BDID	
CC[C@H](O)CCNCC1(O)CCCC1	218777834	MZLFRYMHQPFOFN-JTQLQIEISA-N	201.310	1.042	70	20	BDID	
CCOC[C@@H](O)CN[C@H]1CC(C)(C)OC1(C)C	161349557	VYGOUDFUHQEPMR-QWRGUYRKSA-N	245.363	1.320	70	20	BDID	
CC(C)c1noc(OCc2ccnn2C)n1	161376132	XUVHRRNLBXDLCM-UHFFFAOYSA-N	222.248	1.506	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1ncoc1C	160704152	ZQHQFABFTVYUQH-ZETCQYMHSA-N	240.259	1.055	70	20	BDID	
CCN(C)C(=O)c1cccc(-c2ncn[nH]2)c1	159806591	VWAAUSSAQDQYIG-UHFFFAOYSA-N	230.271	1.564	70	20	BDID	
CCC[C@H](O)CNCc1cncn1CC	217722156	ZEQZXYNLSQCSRC-NSHDSACASA-N	211.309	1.154	70	20	BDID	
CCC[C@H](O)CNc1ccc(Cl)nn1	218002515	NQPZTFDDQIXCFB-ZETCQYMHSA-N	215.684	1.703	70	20	BDID	
O=C(NCC1CCOCC1)Nc1ncccn1	218708447	WRDJAFAMRYSLCN-UHFFFAOYSA-N	236.275	1.025	70	20	BDID	
CCn1nc(C)cc1CS(=O)(=O)Cl	91323846	LYUGEQSNBQYXCX-UHFFFAOYSA-N	222.697	1.280	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)c1ccnn1C	159676297	AJFQWBZJBVYYPY-UWVGGRQHSA-N	221.304	1.729	70	20	BDID	
CCOCCC1(CNC(=O)[C@H](C)OC)CCC1	159577045	KFYJISRVXYWVSU-NSHDSACASA-N	243.347	1.734	70	20	BDID	
CC(C)(C)CC(C)(C)NC(=O)CC(N)=O	217899505	GJIWSLCAMFTMHL-UHFFFAOYSA-N	214.309	1.193	70	20	BDID	
CN(CCCCCO)C[C@@H]1CCC[C@@H]1O	159712402	WNHLYDLASHOEMH-RYUDHWBXSA-N	215.337	1.242	70	20	BDID	
COCCNC(=S)N[C@H]1CCOC(C)(C)C1	159749122	IEMVQXNBSQVHPC-VIFPVBQESA-N	246.376	1.055	70	20	BDID	
CN(C(=O)NC1CCC1)[C@@H]1CCSC1	160219791	VPDYZFQYPYEZRC-SECBINFHSA-N	214.334	1.686	70	20	BDID	
CC1CC(N[C@H]2C[C@@H](C)N(C3CC3)C2)C1	160857033	LPYNNIKNPRRQKL-RSJDFQLWSA-N	208.349	2.000	70	20	BDID	
CC[C@H](NC1CCN(C)CC1)c1cnn(C)c1	161420325	SJNFQBZWHYJQQQ-ZDUSSCGKSA-N	236.363	1.555	70	20	BDID	
CC(C)[C@@H](C(=O)N1C[C@@H]2CCC[C@H]2C1)N(C)C	159423180	RTPRALFUPUKOOO-AVGNSLFASA-N	238.375	1.831	70	20	BDID	
C[C@@H]1SCCN(C(=O)CNC2CC2)[C@@H]1C	159622851	CZLBZAAEPVJGNL-BDAKNGLRSA-N	228.361	1.091	70	20	BDID	
CCc1cc(N[C@]2(C)CCOC2)ncn1	160077398	KOFLNFGPMQMONN-LLVKDONJSA-N	207.277	1.630	70	20	BDID	
O=S(=O)(OCc1cnco1)C(F)(F)F	705074323	HCUJAEQSOPQRRS-UHFFFAOYSA-N	231.151	1.041	70	20	BDID	
COc1ccnc(NCc2cccnc2)n1	161086953	AZRLOOLNRVABLC-UHFFFAOYSA-N	216.244	1.492	70	20	BDID	
CCCCn1ncc(NC(=O)NC)c1C	160006758	ATGQHEBBWLLULJ-UHFFFAOYSA-N	210.281	1.743	70	20	BDID	
O=S(=O)(F)Cc1ccc(-n2cccn2)cc1	675066314	LYXNPGIOAHYYIV-UHFFFAOYSA-N	240.259	1.672	70	20	BDID	
CCOc1ccc(NC(=O)N(C)CCO)cc1	217281553	BNDWYRDZJFLJHO-UHFFFAOYSA-N	238.287	1.541	70	20	BDID	
CSC[C@@H](C)NC(=O)CC[C@H]1CCNC1	160470815	UDGASNSROTYKLS-ZJUUUORDSA-N	230.377	1.244	70	20	BDID	
CS[C@H](C)CC(=O)NC[C@H]1CCN(C)C1	160655155	BVCXFVCDVYFFHZ-NXEZZACHSA-N	230.377	1.196	70	20	BDID	
CC[C@@]1(C)C[C@H]1C(=O)NCCNC(=O)C(C)C	159793386	SDOWLCCMXDMWIW-GWCFXTLKSA-N	240.347	1.311	70	20	BDID	
O=C(NCCC1CCC1)N[C@@H]1CCOC1	159426660	OFFPYLOSRSQCFB-SNVBAGLBSA-N	212.293	1.265	70	20	BDID	
NC1(C(=O)NCC2C3CC4CC(C3)CC2C4)CC1	217111402	HQIOBNWNBSVSLH-UHFFFAOYSA-N	248.370	1.666	70	20	BDID	
O=C(O)NCCNc1ccc2ccccc2n1	217841744	IUSPUAJPTWWKDZ-UHFFFAOYSA-N	231.255	1.914	70	20	BDID	
C[C@H](O)CCNC(=O)/C=C\c1cccc(F)c1	217753048	TWJVQRHOWDNRMJ-OMMCCPJFSA-N	237.274	1.726	70	20	BDID	
CCOC(=O)c1cnn(Cc2ccccc2C)n1	218401577	KFNUCHHOWUSBAY-UHFFFAOYSA-N	245.282	1.812	70	20	BDID	
CC[C@H](C)OC(=O)c1cccc2n[nH]nc12	216680658	CMFAYWRWHJURSZ-ZETCQYMHSA-N	219.244	1.913	70	20	BDID	
CSCCCCC(=O)N[C@@H]1CCC[C@H](N)C1	161245570	VHHDSHFTQAJUNY-WDEREUQCSA-N	244.404	1.906	70	20	BDID	
C[C@H]1CCCC[C@@H]1CNC(=O)[C@H](C)CN	218384625	PZCYFOAPZIWFIE-HBNTYKKESA-N	212.337	1.524	70	20	BDID	
Nc1nc2ccc(S(=O)(=O)F)cc2s1	306413731	MZYRTMMXMPIVQJ-UHFFFAOYSA-N	232.261	1.537	70	20	BDID	
NC[C@H]1CCCN1C(=O)CCc1ccsc1	160133195	WBLGEYMCCLTEHH-LLVKDONJSA-N	238.356	1.630	70	20	BDID	
CCc1nc(CN[C@H](C)c2c(C)noc2C)n[nH]1	160438192	QMKRQLKSGJWVKF-SSDOTTSWSA-N	249.318	1.823	70	20	BDID	
Cc1cc(NC(=O)CS[C@@H](C)CO)no1	160732868	CHDIULICYLMZAA-ZETCQYMHSA-N	230.289	1.036	70	20	BDID	
CCSCC[C@H](C)NC(=O)N[C@@H]1CCOC1	159417265	XZTMYVWHACCLIJ-VHSXEESVSA-N	246.376	1.606	70	20	BDID	
CCOC(=O)CNCC(CC)(CC)C(=O)OC	159649899	OINRMTNUDYCELF-UHFFFAOYSA-N	245.319	1.119	70	20	BDID	
COC[C@H]1CCCN(CCn2ccnc2)C1	159821673	FFXHMJWWBPXLTR-LBPRGKRZSA-N	223.320	1.242	70	20	BDID	
C[C@@H]1CCCN1c1nc(Cl)nc2nc[nH]c12	160186652	GVEIXEOQOOSMAV-ZCFIWIBFSA-N	237.694	1.995	70	20	BDID	
COCC(C)(C)NCCn1ccnc1C	160808842	SUHFLYROGKFKIT-UHFFFAOYSA-N	211.309	1.206	70	20	BDID	
O=S(=O)(Cl)[C@H]1CCCO[C@@H]1F	1537958813	MQPFIYFUZBQJHP-WHFBIAKZSA-N	202.634	1.030	70	20	BDID	
CCN(C)CCNC(=O)[C@@H](C)c1ccsc1	160150011	MENIMOAAOODTEU-JTQLQIEISA-N	240.372	1.920	70	20	BDID	
Cc1cccc(C)c1CCNC(=O)CCCN	160213975	JUXWAMJAUVHPHJ-UHFFFAOYSA-N	234.343	1.701	70	20	BDID	
COC1CCN(C(=O)N2CCC(C)CC2)CC1	160354622	LVACVQTYOGTZDF-UHFFFAOYSA-N	240.347	1.949	70	20	BDID	
Oc1cc(F)cc(CN[C@H]2CCOC2)c1	159609378	MQGOXFFVRAGVPR-JTQLQIEISA-N	211.236	1.410	70	20	BDID	
C[C@H](CC(N)=O)NCC1CCCCCC1	160797867	STMZSUHTXFCVTM-SNVBAGLBSA-N	212.337	1.810	70	20	BDID	
Cc1cc(C(=O)N2C[C@H](C)OC[C@H]2C)ncn1	161488451	CKOWUMDRPFPXLX-ZJUUUORDSA-N	235.287	1.034	70	20	BDID	
CC[C@H](CSC)Nc1ccnc(N)n1	217570205	LLTWXYKJOVAZRH-SSDOTTSWSA-N	212.322	1.612	70	20	BDID	
C[C@H](NCCO)c1cnn(Cc2ccccc2)c1	159709210	QZFYXUVGBWCEMC-LBPRGKRZSA-N	245.326	1.574	70	20	BDID	
CN(Cc1ccc(O)cc1)C(=O)c1ccn(C)n1	218195855	LROOFXZSNXUDDM-UHFFFAOYSA-N	245.282	1.398	70	20	BDID	
CC(C)NC(=S)N(C)[C@@H]1CCSC1	160045479	DUSMRDDEGNTZIF-MRVPVSSYSA-N	218.391	1.707	70	20	BDID	
CCCCOC(=O)CS[C@@H](C)CO	160753609	JZDZYAWFIIEWBM-QMMMGPOBSA-N	206.307	1.444	70	20	BDID	
CC(C)(C)[C@@H](O)CNC(=O)[C@@H]1CCCCO1	160843796	LRBMJTANPZCPTA-UWVGGRQHSA-N	229.320	1.079	70	20	BDID	
CCCO[C@@H]1CCCN(C(=O)[C@@H](C)N)CC1	159470412	FJMLXALQXVTTIX-GHMZBOCLSA-N	228.336	1.141	70	20	BDID	
CC[C@H](C)NC(=O)C(=O)Nc1ccc(C)nc1	159701364	RZSKBOSHXDGOKY-QMMMGPOBSA-N	235.287	1.243	70	20	BDID	
C[C@@H]1CCC[C@@H](CO)N1CCC(C)(C)O	161242191	GCNMWOYLQXCPNM-MNOVXSKESA-N	215.337	1.383	70	20	BDID	
Cc1cc(C(=O)NCc2c(C)noc2C)ncn1	160023665	ZQMREKGPAHTJTE-UHFFFAOYSA-N	246.270	1.320	70	20	BDID	
C[C@]1(Nc2ncnc3c2CCC3)CCOC1	160074854	QTYSNXMSWHXRHK-LBPRGKRZSA-N	219.288	1.556	70	20	BDID	
Cc1noc(C)c1N(C)C(=O)CCNC(C)C	160607179	JDJFTQNWPLFLGX-UHFFFAOYSA-N	239.319	1.642	70	20	BDID	
Cc1cc(C)nc(N2CCOC[C@H]2C2CC2)n1	159655070	SXVUPNMCKSJXIT-LBPRGKRZSA-N	233.315	1.709	70	20	BDID	
C[C@H](CNC(=O)C1(CN)CCCC1)C[C@@H](C)O	160568709	DWYFOLGPCHDSCT-WDEREUQCSA-N	242.363	1.029	70	20	BDID	
CNCC(=O)N1CCCC[C@H]1CC(C)C	160874723	IRKJDYPJOGOIGS-NSHDSACASA-N	212.337	1.633	70	20	BDID	
CC[C@H](C)NC(=O)N[C@@H]1CC(=O)N(C(C)C)C1	217287991	FMECXNFHJLHIQI-VHSXEESVSA-N	241.335	1.093	70	20	BDID	
CNCCN(C)C(=O)/C=C\c1ccccc1	216702596	LVGSFRIOVMOSHZ-HJWRWDBZSA-N	218.300	1.378	70	20	BDID	
Cc1nccc(N[C@H]2CC[C@@H](CO)CC2)n1	161316911	RHNCZWMEVQASFT-XYPYZODXSA-N	221.304	1.748	70	20	BDID	
CC[C@]1(C)C[C@@H](S(=O)(=O)Cl)CCO1	112132190	XRMCGKZZNKAATP-JGVFFNPUSA-N	226.725	1.903	70	20	BDID	
O=S(=O)(Cl)[C@@H]1CCc2cccnc21	118897722	BJULNQFMMDQYDY-SSDOTTSWSA-N	217.677	1.638	70	20	BDID	
CC(C)N1CCN(C(=O)[C@@H]2CCCCO2)CC1	161182118	VDNGODWZZYEBGB-LBPRGKRZSA-N	240.347	1.108	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)C1(C)CCC1	160766287	ULCQBDOXFDKKDN-VIFPVBQESA-N	227.304	1.635	70	20	BDID	
CCS[C@@H](C(=O)N1CC[C@H](NC)C1)C(C)C	160806411	KRIUQRBCCUSGDT-WDEREUQCSA-N	244.404	1.584	70	20	BDID	
C[C@H]1CC[C@@H](C(=O)Nc2ncccc2O)O1	159561623	PFDBEXDNCYYKTK-CBAPKCEASA-N	222.244	1.293	70	20	BDID	
CCN1CCC[C@H]1CNC(=O)C1(C)CC1	159573373	VAGATSMPSCAHRB-JTQLQIEISA-N	210.321	1.387	70	20	BDID	
Cc1ccc(C(=O)N[C@H]2CCC[C@@H](N)C2)cc1	160967445	JCTVDSJBAKKWTP-OLZOCXBDSA-N	232.327	1.995	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)CC[C@@H]1CCOC1	160934862	VUKSVWYDIFJTHZ-VXGBXAGGSA-N	243.347	1.326	70	20	BDID	
C[C@H](CNC(=O)c1ccc(O)cc1O)C1CC1	218762862	SOKKOGGJXGYWGZ-MRVPVSSYSA-N	235.283	1.874	70	20	BDID	
C[C@H]1NCCC[C@@H]1NC(=O)c1cscn1	160537919	VJBPNENHPSOACP-SFYZADRCSA-N	225.317	1.013	70	20	BDID	
Cn1c(C(=O)Nc2ccc(F)cn2)cccc1=O	160205800	XHSIDCLCPQQUCF-UHFFFAOYSA-N	247.229	1.172	70	20	BDID	
CCOC[C@]1(C)C[C@H]1S(=O)(=O)Cl	521399944	DOAVYDUYTXSUFH-RQJHMYQMSA-N	212.698	1.370	70	20	BDID	
Cc1cccc(CN(C)C(=O)N[C@@H]2CCOC2)n1	160700684	SAJIBCAVHLCWTG-GFCCVEGCSA-N	249.314	1.320	70	20	BDID	
CC(C)(C)CNC(=O)N[C@@H]1CCOC1	159391951	GOXAEWAOOUURDY-MRVPVSSYSA-N	200.282	1.121	70	20	BDID	
C[C@H](NC(=O)C(F)F)c1ccccn1	217622352	PTCXXJWQWVMPIF-LURJTMIESA-N	200.188	1.524	70	20	BDID	
CCN1CCN(C(=S)NCC(C)C)C[C@H]1C	159747179	REVKXFDZSULZKV-LLVKDONJSA-N	243.420	1.543	70	20	BDID	
CCN(CCO)C(=O)c1ccnc(Cl)c1F	159816837	YRVFHYVJCAZXTC-UHFFFAOYSA-N	246.669	1.329	70	20	BDID	
C[C@@H]1CCC[C@H](C(=O)Nc2nnc[nH]2)C1	161022224	WWMCEJMTHHDUOX-SFYZADRCSA-N	208.265	1.570	70	20	BDID	
CC[C@@](C)(O)CN[C@H](C)c1cscn1	161192726	OHPFCUUXPQBFDY-PSASIEDQSA-N	214.334	1.955	70	20	BDID	
C[C@@H](c1cnn(C)c1)S(=O)(=O)Cl	88251412	QGQWRYAHHOFCKA-YFKPBYRVSA-N	208.670	1.050	70	20	BDID	
C[C@H](N)CNC1C2CC3CC(C2)CC1C3	216715235	OEBFWHMMZGQAGK-DDNJXNFVSA-N	208.349	1.748	70	20	BDID	
NCCCC(=O)NCCCc1cccc(F)c1	159454277	BJJKQTTZGKTLEA-UHFFFAOYSA-N	238.306	1.613	70	20	BDID	
CC[C@@H](CSC)N[C@H]1CCCNC(=O)C1	217329521	MRWXWFZHCXYIDD-UWVGGRQHSA-N	230.377	1.386	70	20	BDID	
CCC[C@H](N)C(=O)N[C@@H]1CCC[C@@H](C)C1	217827186	UFDKMKLAEAIRMQ-MXWKQRLJSA-N	212.337	1.809	70	20	BDID	
Cc1ccc(NC(=O)N[C@@H](C)[C@H]2CCOC2)cn1	161330548	YWLFXYLKCXMOLC-QWRGUYRKSA-N	249.314	1.937	70	20	BDID	
C[C@H](N)C(=O)N1C[C@H](c2ccccc2)C[C@@H]1C	160902634	ZRXMOHLCBMEDHS-GMXVVIOVSA-N	232.327	1.738	70	20	BDID	
CC[C@H](N)C(=O)NC[C@H]1CCc2ccccc21	159730698	UUBJEJFFKYNARC-YPMHNXCESA-N	232.327	1.570	70	20	BDID	
CCO[C@@H](CC)C(=O)Nc1c[nH]c(=O)c(C)c1	159542785	XDUREOCPYMIKKM-JTQLQIEISA-N	238.287	1.437	70	20	BDID	
Cc1ccc(C[C@H](C)N(C)C(=O)[C@H](C)N)cc1	161156223	ZWJWHVWYNIBUPQ-RYUDHWBXSA-N	234.343	1.732	70	20	BDID	
C[C@H](N)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C	161175321	LIQDDMOPYPRDTH-GARJFASQSA-N	242.363	1.291	70	20	BDID	
Cc1cc(NC(=O)CCOC(C)C)c[nH]c1=O	159743671	WSPGBOGKULWGPL-UHFFFAOYSA-N	238.287	1.437	70	20	BDID	
Cc1ccccc1CCNC(=O)C(F)F	217864916	HFCKCIIQNBLHKP-UHFFFAOYSA-N	213.227	1.919	70	20	BDID	
COc1cccnc1NC[C@@H]1CCOC1	159450876	MFVCUDXCQLNTLF-VIFPVBQESA-N	208.261	1.539	70	20	BDID	
CCN(Cc1ccccn1)[C@H](C)C(=O)N(C)C	161051895	WWERREHOUICEFV-LLVKDONJSA-N	235.331	1.380	70	20	BDID	
Nc1cc(NC[C@@H]2CC=CCC2)ncn1	161041693	XUHOXUXMVQIUKU-SECBINFHSA-N	204.277	1.827	70	20	BDID	
C[C@H](CCC(C)(C)C)NC(=O)[C@@H]1CSCN1	161228419	JKUXDANCJMRVTO-ZJUUUORDSA-N	244.404	1.980	70	20	BDID	
Cc1nnc(NC(=O)[C@H]2CC2(C)C)s1	160163473	BKXDALDRQHWZLO-ZCFIWIBFSA-N	211.290	1.831	70	20	BDID	
CCC[C@@H](C(=O)NCCOC)C(C)C	160455549	FAHFSQYZBHJTSU-SNVBAGLBSA-N	201.310	1.821	70	20	BDID	
C[C@H](NC(=O)CCN)[C@@H](C)c1ccccc1	160889919	KCLQCMDUKQWTLT-MNOVXSKESA-N	220.316	1.644	70	20	BDID	
CNC(=S)N[C@@H](C)Cc1ccccc1	159709521	QSIXPCRRFHQRKP-VIFPVBQESA-N	208.330	1.712	70	20	BDID	
C[C@@H]1CN(CC[C@@H]2CCCN2C)CC(C)(C)O1	161465482	WLPBGGOHQRAMFM-OLZOCXBDSA-N	240.391	1.970	70	20	BDID	
CC(C)OCCCN(C)[C@H]1CCCCNC1=O	160300089	AMLIFOUMFNUDQT-LBPRGKRZSA-N	242.363	1.402	70	20	BDID	
CCNC(=O)[C@H](C)N[C@@H](C)c1cscn1	161142499	USBTUHZXUKOCLG-YUMQZZPRSA-N	227.333	1.318	70	20	BDID	
Cc1cncc(C(=O)NC2CC=CC2)c1	160966223	ULUVKIWCMYFTQJ-UHFFFAOYSA-N	202.257	1.838	70	20	BDID	
NCCCNC(=O)/C=C/c1ccccc1Cl	160073442	LPGJJQOXEZYLGT-VOTSOKGWSA-N	238.718	1.818	70	20	BDID	
CCOC(=O)C[C@@H](C)N(C)CCSC	160111636	OFGLTWGZCOABND-SECBINFHSA-N	219.350	1.623	70	20	BDID	
COC1CCN(C(=O)N2CCC[C@@H](C)C2)CC1	160354231	KANJWUJGAGFZBN-LLVKDONJSA-N	240.347	1.949	70	20	BDID	
COCCCCNC(=O)N1CCO[C@H](C)[C@H]1C	160729966	ZWHYHJNYHNVANT-GHMZBOCLSA-N	244.335	1.232	70	20	BDID	
CCCCC(=O)NOCc1cccnc1	160777608	NDHHCWWJZFDMGD-UHFFFAOYSA-N	208.261	1.820	70	20	BDID	
CNC(=O)c1cc(=O)[nH]c2cc(F)ccc12	159411386	QUEUWAZSKAXWIR-UHFFFAOYSA-N	220.203	1.027	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(C)[nH]c1=O	159664375	BTFVNHJSALGTPW-PWSUYJOCSA-N	248.326	1.992	70	20	BDID	
Cc1nc(C)c(C(=O)N2CCC(=O)CC2)o1	159461849	VUCRBUSKVJRWOE-UHFFFAOYSA-N	222.244	1.097	70	20	BDID	
CS(=O)(=O)c1c[nH]c2ccc(F)cc12	218473244	PFYAREFLXOLHKM-UHFFFAOYSA-N	213.233	1.711	70	20	BDID	
CC1(NS(=O)(=O)c2ccccc2)CCC1	159907770	WQVIHWBKCMHCTQ-UHFFFAOYSA-N	225.313	1.908	70	20	BDID	
CCCN[C@H](C)C1(OC)CCOCC1	160458257	CHSQBAGNCRHDEA-SNVBAGLBSA-N	201.310	1.570	70	20	BDID	
COC[C@H](O)CCNC(=O)CCCCSC	160865213	QFVNMMCKUVZHLN-SNVBAGLBSA-N	249.376	1.033	70	20	BDID	
C[C@H](NC(=O)N[C@H]1CCOC1)c1cccnc1	159440990	RQXNKSZCFHISKB-ONGXEEELSA-N	235.287	1.231	70	20	BDID	
Cc1cccc2c(CC(=O)NCCO)c[nH]c12	159471795	WOOBEGRLSYYBAV-UHFFFAOYSA-N	232.283	1.127	70	20	BDID	
Cc1cc(NC(=O)[C@@H]2CCCCO2)c[nH]c1=O	159490864	YDXFQFKXIVFWQQ-JTQLQIEISA-N	236.271	1.191	70	20	BDID	
CC(C)n1ccnc1CS(=O)(=O)Cl	100246522	SRRVMUVVMXJUFS-UHFFFAOYSA-N	222.697	1.533	70	20	BDID	
CC[C@H](C)NC(=O)N[C@H]1CC(=O)N(C(C)C)C1	217287988	FMECXNFHJLHIQI-UWVGGRQHSA-N	241.335	1.093	70	20	BDID	
CC[C@@H](NCCOC)c1ccc(F)cn1	161303754	DMGMSGDBQLZFOA-SNVBAGLBSA-N	212.268	1.908	70	20	BDID	
CCC[C@H](NC(=O)C(F)(F)F)C(=O)OC	216726330	PBAYXVHLLFCUCJ-YFKPBYRVSA-N	227.182	1.007	70	20	BDID	
Cc1ccccc1[C@@H]1C[C@H]1C(=O)NCC(C)(C)N	160074483	AXXQODDJHCCTRK-QWHCGFSZSA-N	246.354	1.952	70	20	BDID	
COc1ccc(C(=O)NC2(CO)CC2)c(C)c1	160347332	OIVXYCXWFTYPKK-UHFFFAOYSA-N	235.283	1.258	70	20	BDID	
C[C@H]1C[C@@H]1C(=O)N(C)Cc1cccn1C	160508169	AJYZNEVCXMHIJU-ONGXEEELSA-N	206.289	1.640	70	20	BDID	
CCc1nnc(NC(=O)[C@@H]2CCCCO2)s1	159607840	PJBKLSDHOZYDKJ-ZETCQYMHSA-N	241.316	1.608	70	20	BDID	
CNC(=S)N(C)c1ccc(OC)cc1	159719919	QPGNPELJQCBJDY-UHFFFAOYSA-N	210.302	1.636	70	20	BDID	
CCOCCCN1CC[C@H](CCN)C1	160062243	XGPIMECYXWOUKW-NSHDSACASA-N	200.326	1.084	70	20	BDID	
CC(C)NC(=O)NCC1(C)CCNCC1	159990468	APFKZTOAQJXEHU-UHFFFAOYSA-N	213.325	1.084	70	20	BDID	
CC[C@H](COC)N[C@@H](CCO)CSC	160387688	DDNHCAIRUGKFCB-ZJUUUORDSA-N	221.366	1.115	70	20	BDID	
C[C@]1(O)CCCN(c2ncccc2F)C1	160846208	WPTFVNMZWPNKDV-NSHDSACASA-N	210.252	1.572	70	20	BDID	
COCCCCNc1ncccc1OC	160221398	MHJBFSYUZYSAQV-UHFFFAOYSA-N	210.277	1.929	70	20	BDID	
CN(Cc1cccn1C)C(=O)C1CC=CC1	160404712	ZHBWAAHFGDYOQV-UHFFFAOYSA-N	218.300	1.950	70	20	BDID	
CO[C@H](C)C(=O)N(C)[C@H](C)C(C)(C)C	160520705	BOZYQCNHQOHECB-RKDXNWHRSA-N	201.310	1.914	70	20	BDID	
CN[C@@H]1CCN(C(=O)CCC2CCC2)C1	160725875	XDWDKYADVXOPKS-LLVKDONJSA-N	210.321	1.387	70	20	BDID	
COCCC1(C(=O)Nc2ccn(C)n2)CCC1	159909293	QDZJECXUACRVIG-UHFFFAOYSA-N	237.303	1.565	70	20	BDID	
CCC[C@@H](C)N(C)C(=O)N[C@H]1CCOC1	159554478	JDZOXJBZMNBZSY-ZJUUUORDSA-N	214.309	1.605	70	20	BDID	
C[C@@H](O)CC(C)(C)CNC(=O)[C@H]1CCCCO1	159694554	NEEQTTNIHCXGCP-GHMZBOCLSA-N	243.347	1.469	70	20	BDID	
C[C@H](N)C(=O)N(C)[C@H]1CCc2ccccc2C1	160118975	ONYCJMGVRIGEFX-GWCFXTLKSA-N	232.327	1.350	70	20	BDID	
CC(C)[C@@H](N)CNC(=O)/C=C\c1ccco1	216997302	PIJXAOLDPSVQJY-GZTOBOFZSA-N	222.288	1.392	70	20	BDID	
COc1cccnc1N[C@@H](C)CN(C)C	160257476	DVYVDPYKTDFSHI-VIFPVBQESA-N	209.293	1.452	70	20	BDID	
O=C(Nc1nnc2ccccn12)NC1CC=CC1	160244611	DGQKBWHLSURWOD-UHFFFAOYSA-N	243.270	1.569	70	20	BDID	
Cc1ccc(CCC(=O)NC2(CO)CC2)o1	160320288	ZPPYZWJMIKCXOR-UHFFFAOYSA-N	223.272	1.162	70	20	BDID	
CC[C@H](C(=O)N[C@@H](C)C[C@@H]1CCCO1)N(C)C	160677143	DDEVZNBFZDKVBV-SDDRHHMPSA-N	242.363	1.400	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccsc1	160457259	RLTYDFLCXOVVPE-MRVPVSSYSA-N	241.312	1.820	70	20	BDID	
CC(=O)N1CC[C@H](NC(=O)CCC(C)(C)C)C1	159746066	FOGILVGHLWTQEN-NSHDSACASA-N	240.347	1.550	70	20	BDID	
CC[C@@H](CO)NC(=O)[C@H]1CCCC1(C)C	217851114	AXBGDDYUYAFJBP-VHSXEESVSA-N	213.321	1.700	70	20	BDID	
C[C@H](O)CC(C)(C)CNC(=O)C[C@H]1CCCN1	160950842	YFZSOLUCQXWPQD-WDEREUQCSA-N	242.363	1.042	70	20	BDID	
CON(C)C(=O)[C@@H]1C[C@H]1c1cccc(O)c1	218120485	SNPVAPOOXQLQBQ-WDEREUQCSA-N	221.256	1.516	70	20	BDID	
CS[C@@H](C)CNC(=O)C(F)(F)F	159467864	LTNANYFDVZNHBE-BYPYZUCNSA-N	201.213	1.416	70	20	BDID	
Cc1cc(C(=O)N2CCCC[C@@H]2C)ncn1	161198099	BXGKHDCKPALROQ-JTQLQIEISA-N	219.288	1.800	70	20	BDID	
CCC(C)(C)NC(=O)c1cc(C)ncn1	161429506	OCZODNWWDXJTCC-UHFFFAOYSA-N	207.277	1.703	70	20	BDID	
CCC[C@H](CC)NC(=O)N[C@@H]1CCOC1	159396139	KVNXRJRKLSMUDO-VHSXEESVSA-N	214.309	1.653	70	20	BDID	
CC1(C)C(NC(=O)N[C@H]2CCOC2)C1(C)C	159419431	URKOEXRVJMEBMT-QMMMGPOBSA-N	226.320	1.509	70	20	BDID	
C[C@]1(CNC(=O)N[C@@H]2CCOC2)CCCS1	159427992	WEESLASUKLKGMY-MWLCHTKSSA-N	244.360	1.360	70	20	BDID	
CC[C@H](COC)N[C@H]1C[C@H](O)C1(C)C	159560507	MPLZLWLRZHCZQN-UTLUCORTSA-N	201.310	1.160	70	20	BDID	
CCOCC(=O)N1CC=C(C(F)(F)F)CC1	160573718	CFCNKLHHFQFBMP-UHFFFAOYSA-N	237.221	1.744	70	20	BDID	
O=S(=O)(Cl)Cc1nnc(Cl)s1	157695434	GZWMOGVWOXWSEK-UHFFFAOYSA-N	233.101	1.260	70	20	BDID	
CN(C)c1ccc(CNC2CCC(O)CC2)cn1	159566578	RROACNVVVPOYIW-UHFFFAOYSA-N	249.358	1.541	70	20	BDID	
N#CCc1ccc(OS(=O)(=O)F)cc1	1887504204	QBJATEKMJZXYIH-UHFFFAOYSA-N	215.205	1.346	70	20	BDID	
COc1csc(C(=O)NC2(CO)CC2)c1	159910650	JWUFCQXSZUEUEY-UHFFFAOYSA-N	227.285	1.011	70	20	BDID	
CCCNC(=S)N(C)[C@@H]1CCSC1	160044879	FHZZNLBTVTYWHH-MRVPVSSYSA-N	218.391	1.708	70	20	BDID	
CC1CC(N[C@@H]2C[C@H](C)N(C3CC3)C2)C1	160856638	LPYNNIKNPRRQKL-POSLAHMBSA-N	208.349	2.000	70	20	BDID	
CC(C)NC(=O)CN[C@@H](C(C)C)C1CC1	160994368	CVMHKDMWBWTYKC-LBPRGKRZSA-N	212.337	1.535	70	20	BDID	
C[C@H](C(=O)N1CCC[C@@H]1CN)c1ccsc1	160181127	RRGCHMJYJPMART-GXSJLCMTSA-N	238.356	1.801	70	20	BDID	
O=C(NCc1ncccc1F)NC1CC=CC1	160360919	GFFHODFNBLFKFQ-UHFFFAOYSA-N	235.262	1.739	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1ccoc1	160430869	RGBQYRRLMKRPQW-QMMMGPOBSA-N	225.244	1.351	70	20	BDID	
CC(C)c1cc(C(=O)NC[C@@H](C)CCO)n[nH]1	160988078	PNVISXOYKCGZNQ-VIFPVBQESA-N	239.319	1.281	70	20	BDID	
CC[C@@H]1CCCN(Cc2nncn2C)C1	160781892	OYOCMZPVDRCPJA-SNVBAGLBSA-N	208.309	1.437	70	20	BDID	
N#Cc1ccc(F)cc1S(=O)(=O)F	1887504671	KXTQTLNMTQSRNO-UHFFFAOYSA-N	203.169	1.356	70	20	BDID	
CC(C)[C@@H](CCO)NC(=O)C(C)(C)C	160650602	GLSHSNZJZYCDKG-SECBINFHSA-N	201.310	1.556	70	20	BDID	
CC[C@H](O)CCN[C@@H](C)c1ccncc1	161237747	DQKKQPUPJDLETI-JQWIXIFHSA-N	208.305	1.893	70	20	BDID	
COc1ccccc1C[C@H](C)NC[C@H](C)N	218300756	UDXOIFGYNFHNMC-QWRGUYRKSA-N	222.332	1.563	70	20	BDID	
CCO[C@H]1CCCN(C(=O)CO[C@H](C)CC)C1	161144777	UJYKXPXOKWFKCL-NEPJUHHUSA-N	243.347	1.829	70	20	BDID	
C[C@@H](CO)SCCCn1ccnc1	161229836	VUZOIOGJKHRGJV-VIFPVBQESA-N	200.307	1.387	70	20	BDID	
CCCCC(=O)N[C@@H](C)CC(=O)OCC	160403713	BMPCSOGBFPXOBU-VIFPVBQESA-N	215.293	1.635	70	20	BDID	
CN[C@@H]1CCN(C(=O)[C@H](C)c2cccc(C)c2)C1	160495470	VEFHIMHMUQLXAQ-TZMCWYRMSA-N	246.354	1.919	70	20	BDID	
CC(C)[C@@H](CCO)NC(=O)NC1CCC1	218000058	LPPQWCHIWZFUJA-SNVBAGLBSA-N	214.309	1.245	70	20	BDID	
CSCCCCC(=O)N[C@H]1CCC[C@H](N)C1	161245691	VHHDSHFTQAJUNY-QWRGUYRKSA-N	244.404	1.906	70	20	BDID	
O=S(=O)(Cl)[C@H]1CCCO[C@H]1F	1537958810	MQPFIYFUZBQJHP-CRCLSJGQSA-N	202.634	1.030	70	20	BDID	
COCC(C)(C)C(=O)NCC1(C2CC2)CC1	161477617	FYOLHIGVVSCEBE-UHFFFAOYSA-N	225.332	1.965	70	20	BDID	
COc1cc(C)nc(N[C@@]2(C)CCOC2)n1	160081586	GBPOCJZOKCSKLI-NSHDSACASA-N	223.276	1.385	70	20	BDID	
CO[C@H](C)C(=O)NCc1ccncc1C	160681783	URIOLOUGVCUHLP-SECBINFHSA-N	208.261	1.041	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)[C@@H](C(C)C)N(C)C	160793230	FGOULWFDZZDYNL-VXGBXAGGSA-N	244.379	1.096	70	20	BDID	
CC(C)(N)CNC(=O)c1cccc2c1CCC2	159939076	AKCZMUXUJAMUTG-UHFFFAOYSA-N	232.327	1.642	70	20	BDID	
CC(C)[C@H](O)CNC(=O)c1cc2ccccn2c1	159761124	VQIKRDGIFBODIT-CYBMUJFWSA-N	246.310	1.686	70	20	BDID	
COCC[C@H](C)N1CCC[C@@H](CN)C1	218651893	HKDKBFXDGHKVAP-QWRGUYRKSA-N	200.326	1.082	70	20	BDID	
O=C(NOCc1ccccc1)C(F)F	218683333	GTXFVYQJUXDDHB-UHFFFAOYSA-N	201.172	1.500	70	20	BDID	
C[C@H](C(=O)N1CC[C@@H](CCN)C1)C1CC1	159986736	WKZGXGZUDNKVOY-VHSXEESVSA-N	210.321	1.230	70	20	BDID	
CC[C@@H](C(=O)N(C)Cc1cccn1C)N(C)C	159530308	ZJCBDHMZYDMUDC-LBPRGKRZSA-N	237.347	1.324	70	20	BDID	
O=S(=O)(Cl)C[C@H]1OCCc2ccccc21	112427158	JIQDXDIZEZSLPE-SNVBAGLBSA-N	246.715	1.869	70	20	BDID	
COCCC1(C(=O)NCC(C)(C)N)CCCC1	160101892	WXNZWQDYWLBPQO-UHFFFAOYSA-N	242.363	1.437	70	20	BDID	
CC(C)NC(=O)NOCc1cccnc1	160975979	VHKKZJAFONTRRN-UHFFFAOYSA-N	209.249	1.221	70	20	BDID	
CC(C)OCCCN(C)C[C@H]1CCC[C@@H]1O	159475722	YNKRLNMOJKCIRS-OLZOCXBDSA-N	229.364	1.894	70	20	BDID	
CN(CCO)C(=O)CC1CCCCCC1	160439698	QIEAMFJIHRKSCW-UHFFFAOYSA-N	213.321	1.798	70	20	BDID	
CC[C@@H]1CN(CCCN2CCCCC2)CCO1	161268901	JSBSESAPOLBVRA-CQSZACIVSA-N	240.391	1.973	70	20	BDID	
O=S(=O)(Cl)N1CC[C@@H]2CCCC[C@@H]21	133551282	HSPTUOVEOPBNFK-YUMQZZPRSA-N	223.725	1.735	70	20	BDID	
CC(C)(CNC(=O)NCCO)C1CCCC1	161292501	CUUWQKVTVPYZJY-UHFFFAOYSA-N	228.336	1.494	70	20	BDID	
C[C@@H]1CCO[C@@H]1C(=O)N(C)CC1CCC1	160276115	XHXUKIAYCMRUMC-KOLCDFICSA-N	211.305	1.670	70	20	BDID	
COC[C@@H](Cc1ccccc1)NCC(C)(C)O	160622160	GYDZQFASRGZHLD-CYBMUJFWSA-N	237.343	1.605	70	20	BDID	
CSCCN(C)C[C@@H]1CCCC[C@@H]1O	159502807	QNXWDZUFDSRBOP-QWRGUYRKSA-N	217.378	1.832	70	20	BDID	
CC(C)[C@@H](C)N(C)C(=O)N[C@H]1CCOC1	159542944	LJDCPXQZWARJGP-ZJUUUORDSA-N	214.309	1.461	70	20	BDID	
CCCSCC(=O)NCC1(N)CCCCC1	159553168	WOTRNCZDNCNFLA-UHFFFAOYSA-N	244.404	1.907	70	20	BDID	
C[C@H]1CC[C@@H](C(=O)NCCNC(C)(C)C)O1	159805455	FFQOAGSRLNYLIH-UWVGGRQHSA-N	228.336	1.058	70	20	BDID	
COC(=O)NCC1Cc2ccccc2C1	218199733	RGBBYQLTPQVINZ-UHFFFAOYSA-N	205.257	1.757	70	20	BDID	
CNC(=O)C(C)(C)CNc1ccnc(Cl)c1	161070757	AKSASLYEIHEEJH-UHFFFAOYSA-N	241.722	1.919	70	20	BDID	
CONC(=O)[C@H]1C[C@H]1c1sccc1C	160759724	VNKSLUFZTUWFAY-SFYZADRCSA-N	211.286	1.838	70	20	BDID	
CN(C)C(=O)CCCc1nc(C2CC2)no1	159407161	YMZFCVXMRZMUJQ-UHFFFAOYSA-N	223.276	1.358	70	20	BDID	
CN(Cc1nccn1C)OCc1ccccc1	159617895	FDZDWFPZEIHITG-UHFFFAOYSA-N	231.299	1.984	70	20	BDID	
CCOC(C)(C)CNc1nccn2cnnc12	159543778	WJVXJOJWXUKRKX-UHFFFAOYSA-N	235.291	1.351	70	20	BDID	
CCOC(OCC)C(=O)C(F)(F)F	218477168	CDPRJEXNHGYUPH-UHFFFAOYSA-N	200.156	1.517	70	20	BDID	
Cn1cc(NC(=O)[C@H]2CC2(C)C)ccc1=O	160097345	BRKJBWFGILAODP-SECBINFHSA-N	220.272	1.370	70	20	BDID	
CONC(=O)[C@@H]1C[C@@H]1c1sccc1C	160760080	VNKSLUFZTUWFAY-JGVFFNPUSA-N	211.286	1.838	70	20	BDID	
CN(CC1CCCC1)C(=O)N[C@@H]1CCOC1	159432880	QNMRILZAFUVTKM-LLVKDONJSA-N	226.320	1.607	70	20	BDID	
CN[C@H]1CCN(C(=O)c2cccnc2Cl)C1	160641504	BTLPTAUQJOQERU-QMMMGPOBSA-N	239.706	1.169	70	20	BDID	
CCc1cc(O)nc(CN(C)[C@H](C)C2CC2)n1	161012836	YJNWLFZHMHAWFE-SECBINFHSA-N	235.331	1.975	70	20	BDID	
COc1ccnc(NCc2ccc(C)nc2)n1	161087826	RHWKXXXZSIOGGQ-UHFFFAOYSA-N	230.271	1.801	70	20	BDID	
CSCCN(C)C[C@]1(C)CCNC1	160063937	UFLMQBAVLDLKJQ-SNVBAGLBSA-N	202.367	1.281	70	20	BDID	
Cc1[nH]ncc1C(=O)N1CC[C@H](C)[C@H](C)C1	160866372	ZFEKIUWSMYWHJK-DTWKUNHWSA-N	221.304	1.836	70	20	BDID	
CS[C@@H](C)CNC(=O)CCC(C)=O	159471587	MORQLGALGQGCON-QMMMGPOBSA-N	203.307	1.223	70	20	BDID	
CC(C)n1nccc1CS(=O)(=O)Cl	216233455	HHZKDJSCWCKSST-UHFFFAOYSA-N	222.697	1.533	70	20	BDID	
CCO[C@H]1C[C@@H](NC(=O)CCN)C12CCCC2	161111238	PLGZGJMPOAILRZ-MNOVXSKESA-N	240.347	1.189	70	20	BDID	
CCOC(=O)C[C@@H](C)SCc1ccnn1C	161386273	BWIWLUJWTBFFQK-SECBINFHSA-N	242.344	1.995	70	20	BDID	
CC[C@@H](C)OCC(=O)N1C[C@@H](C)OC(C)(C)C1	161467780	DSAVDIAHFOJCEZ-GHMZBOCLSA-N	243.347	1.827	70	20	BDID	
Cc1cc(C(=O)N[C@H]2CCC[C@@H]3OCC[C@H]23)[nH]n1	159812077	NPBIBJBCLZCZCY-SCVCMEIPSA-N	249.314	1.406	70	20	BDID	
CC1(C)C[C@H](NCc2csnn2)CCO1	159938850	LLLZHDKPNOWPBY-MRVPVSSYSA-N	227.333	1.585	70	20	BDID	
CN[C@@H]1CCCN(C(=O)c2ccccc2N)C1	161273673	ZRSHVYNHGRDZLH-SNVBAGLBSA-N	233.315	1.093	70	20	BDID	
CCOCCCN1CC[C@@H](CCN)C1	160062373	XGPIMECYXWOUKW-LLVKDONJSA-N	200.326	1.084	70	20	BDID	
C[C@@H]1CC[C@@H](C)N1C(=O)COC[C@@H]1CCOC1	161503356	HLWDVALHKHGLEN-IJLUTSLNSA-N	241.331	1.439	70	20	BDID	
CN(CCc1ccncc1)C(=O)N[C@H]1CCOC1	159452360	YZCCKOSGNBMEIP-LBPRGKRZSA-N	249.314	1.054	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)Cc1cc(C)[nH]n1	159705082	LEMILMURLJDYQB-JQWIXIFHSA-N	235.331	1.956	70	20	BDID	
Cn1ncc2c(NC3(C)CCC3)ncnc21	159972427	UIUQGXOOUHCAFS-UHFFFAOYSA-N	217.276	1.718	70	20	BDID	
CCN(CCCO)C(=O)CC1CCCC1	160296597	MFZURLGVLVJNCB-UHFFFAOYSA-N	213.321	1.798	70	20	BDID	
Cc1ccoc1CN1C[C@@H]2CNC[C@H]2C1	161312002	OBPMRRLTESBHGY-QWRGUYRKSA-N	206.289	1.239	70	20	BDID	
CC(C)OC(=O)c1cccc(S(=O)(=O)F)c1	1354182878	VFFPWETYXIDWAV-UHFFFAOYSA-N	246.259	1.910	70	20	BDID	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)Nc1nnc[nH]1	159813412	IMJYTVRZTPCLDH-LURJTMIESA-N	248.290	1.277	70	20	BDID	
Cc1cc(N[C@@H]2CCN(C(C)C)C2=O)nn1C	159570940	AVIVTGUAMMNTLM-SNVBAGLBSA-N	236.319	1.150	70	20	BDID	
N[C@@H]1CCC[C@@H](NC(=O)CCc2ccncc2)C1	161220592	MRIQWEXYZHYOPP-CHWSQXEVSA-N	247.342	1.400	70	20	BDID	
CCOCCNC(=O)C[C@H](C)SC	160010668	WAIPZYFTFMWVJN-QMMMGPOBSA-N	205.323	1.281	70	20	BDID	
Cc1ncn(CCn2ccnc2C)c1C	160703385	DDHLAKFQMWYAEA-UHFFFAOYSA-N	204.277	1.705	70	20	BDID	
O=S(=O)(Cl)Cc1cncc(Cl)c1	216200936	CCTYFXCNQSUXIR-UHFFFAOYSA-N	226.084	1.804	70	20	BDID	
COCCCCC(=O)N[C@@H]1CCC[C@@H](N)C1	161042582	KEBKXDIVNUZKST-GHMZBOCLSA-N	228.336	1.189	70	20	BDID	
C[C@@H](N)C(=O)NC[C@@H]1CCCO[C@H]1C(C)(C)C	161177272	LIQDDMOPYPRDTH-OUAUKWLOSA-N	242.363	1.291	70	20	BDID	
COc1cc(CCNC(=O)[C@@H](C)N)ccc1C	160320096	QVMQZVXXTGSMNB-SNVBAGLBSA-N	236.315	1.010	70	20	BDID	
CCN(Cc1cnn(C)c1)CC(F)(F)F	161121502	GQMHETJOMOFCNQ-UHFFFAOYSA-N	221.226	1.804	70	20	BDID	
CSCCN(C)C[C@@H](N)CC(C)C	160069659	QSADQTCHFWHHAB-JTQLQIEISA-N	204.383	1.655	70	20	BDID	
CCCCNC(=S)N[C@@]1(C)CCOC1	160040291	BVXNJZWCIDLJHG-JTQLQIEISA-N	216.350	1.430	70	20	BDID	
CCC[C@H](O)CN[C@H](C)c1ccccn1	160891429	NKJSNTIOWLLPRW-MNOVXSKESA-N	208.305	1.893	70	20	BDID	
O=C(Nc1cccc(S(=O)(=O)F)c1)C1CC1	274540077	VSYDFXWCCVHWBT-UHFFFAOYSA-N	243.259	1.693	70	20	BDID	
CS[C@H](C)CNC(=S)NCC(C)C	159575329	NCTMUUPMMGRKAG-MRVPVSSYSA-N	220.407	1.858	70	20	BDID	
CC[C@H](C)N(C)CCNCc1nccs1	218184945	HPUZFBDFEKZXIG-JTQLQIEISA-N	227.377	1.963	70	20	BDID	
CC[C@@H](CO)NCc1cc(O)cc(F)c1	159587890	AJHZWVJJKZMQBH-JTQLQIEISA-N	213.252	1.392	70	20	BDID	
CN1CC[C@@H](CNC(=O)N2CCCCCC2)C1	160378320	NHUASVHEHAHXRK-LBPRGKRZSA-N	239.363	1.524	70	20	BDID	
COC[C@@H]1CCN(C(=O)N2CCC[C@H](C)C2)C1	160616829	XYHLHSAVEPCCMB-NWDGAFQWSA-N	240.347	1.807	70	20	BDID	
CN(C(=O)Nc1cnn(C)c1)[C@@H]1CCSC1	159801505	HYIKCCIUFKWLEW-SECBINFHSA-N	240.332	1.389	70	20	BDID	
CC(C)c1nnc(S(=O)(=O)Cl)n1C1CC1	159502069	FDFYIQNVVUGGLQ-UHFFFAOYSA-N	249.723	1.664	70	20	BDID	
COc1ccnc(NC(=O)c2cc(C)ncn2)c1	161420882	QNICOTXKUFJYDP-UHFFFAOYSA-N	244.254	1.441	70	20	BDID	
Cc1cc(N[C@H](C(N)=O)c2ccccc2)nn1C	159628270	FVDVKMUTFLJZKG-LBPRGKRZSA-N	244.298	1.367	70	20	BDID	
COC(=O)[C@@H]1CCCN1Cc1ccc(C)cn1	159853708	OMMIQWGLKLSUGX-LBPRGKRZSA-N	234.299	1.527	70	20	BDID	
CC(C)[C@@H](O)CNC(=O)c1cc2ccccn2c1	159761268	VQIKRDGIFBODIT-ZDUSSCGKSA-N	246.310	1.686	70	20	BDID	
CCS[C@@H]1CCCCN(C(=O)CCCN)C1	159767671	NZOTZJYITWYKOX-LLVKDONJSA-N	244.404	1.860	70	20	BDID	
C[C@H](O)CC(C)(C)CNC(=O)C[C@@H]1CCCN1	160950611	YFZSOLUCQXWPQD-QWRGUYRKSA-N	242.363	1.042	70	20	BDID	
C[C@@H](NC(=O)[C@@]1(C)CCCCN1)C1CC1	159558739	PPBHOKKCAQRIBE-BXKDBHETSA-N	210.321	1.433	70	20	BDID	
CCc1nc(CN2CCC[C@@H]2C(C)(C)O)n[nH]1	159414382	ZBFACKWILRABGF-SECBINFHSA-N	238.335	1.102	70	20	BDID	
CC(C)N(C)C(=O)N[C@H]1CCO[C@@H](C2CC2)C1	160350549	HUWKJRSSDFBFMK-NWDGAFQWSA-N	240.347	1.994	70	20	BDID	
CN[C@H]1CCN(C(=O)c2ccc(OC)cc2C)C1	160697331	QGKPSYIMVMETBC-NSHDSACASA-N	248.326	1.438	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H]1CC=CCC1	160859976	OAQKQMLSHSXRKA-MNOVXSKESA-N	239.315	1.801	70	20	BDID	
CC(C)[C@@H]1CCCN1C(=O)N[C@@H]1CCOC1	159435209	MZGUZABCSPQIBV-MNOVXSKESA-N	226.320	1.605	70	20	BDID	
CCc1noc([C@H](C)Nc2cc(C)n(C)n2)n1	159582225	NFSSFGNRMALWAV-QMMMGPOBSA-N	235.291	1.847	70	20	BDID	
CC(=O)N1CC[C@@H](NC(=O)C[C@@H]2C=CCC2)C1	159781357	UIDRKZUDQLZKHR-VXGBXAGGSA-N	236.315	1.080	70	20	BDID	
CC1=CCN(C(=O)NCC(F)(F)F)CC1	160049161	USOIXHDIZIBBJH-UHFFFAOYSA-N	222.210	1.910	70	20	BDID	
O=C(OC[C@H]1CCOC1)c1cnccc1Cl	161406816	QGVKYTBJAGILDP-QMMMGPOBSA-N	241.674	1.928	70	20	BDID	
CNCCNCc1c(C)cc(C)cc1C	161256610	RTXJUHWTGUUPLO-UHFFFAOYSA-N	206.333	1.921	70	20	BDID	
CC[C@H](COC)NC(=O)NC1(C)CCC1	161436518	PSFNBMMHAHCBPO-SECBINFHSA-N	214.309	1.653	70	20	BDID	
COc1cc(C)nc(N[C@]2(C)CCOC2)n1	160081464	GBPOCJZOKCSKLI-LLVKDONJSA-N	223.276	1.385	70	20	BDID	
Cc1n[nH]cc1CN[C@H]1[C@@H]2CCO[C@@H]2C12CCC2	159568867	BEWCGMKGGCIJEE-AVGNSLFASA-N	247.342	1.765	70	20	BDID	
CCOC[C@H](O)CN[C@H](CC)CSC	217330064	OXPKMETULFJWHK-NXEZZACHSA-N	221.366	1.115	70	20	BDID	
CC[C@@H](CCO)N[C@H]1CCOC(C)(C)C1	217708665	RWHHYXFSSYLEGF-QWRGUYRKSA-N	215.337	1.695	70	20	BDID	
NC[C@@H]1CCCN1C(=O)CCC1CCC1	160331570	GMIHFYWLJIEKKU-NSHDSACASA-N	210.321	1.516	70	20	BDID	
C[C@H]1COC[C@H](C)N1C(=O)c1ccc(N)cc1	160520125	YFVOJBLRLCBBTR-UWVGGRQHSA-N	234.299	1.518	70	20	BDID	
CC1(NC(=O)CNCC(F)(F)F)CCC1	160023270	YQCWNRINGJQECL-UHFFFAOYSA-N	224.226	1.197	70	20	BDID	
Cc1[nH]ncc1C(=O)N[C@@H](C)C1CCC1	160203571	UPLZUGMMJOANRW-ZETCQYMHSA-N	207.277	1.637	70	20	BDID	
CCN1CCN(CC[C@@H]2CCCN2C)CC1	161247738	HHKXSEMRJLQFBR-ZDUSSCGKSA-N	225.380	1.108	70	20	BDID	
N[C@H]1CCC[C@@H](NC(=O)c2ccc[nH]2)C1	161347710	IUUAVTWWGYIFKY-DTWKUNHWSA-N	207.277	1.014	70	20	BDID	
N[C@@H]1CCC[C@H](NC(=O)c2ccsc2)C1	161340684	XLXHYJXGSWUNAC-ZJUUUORDSA-N	224.329	1.748	70	20	BDID	
CN(C[C@](C)(O)c1ccccc1)C(=O)CCl	145046771	UGKBWEPLAOAYLZ-LBPRGKRZSA-N	241.718	1.591	70	20	BDID	
C[C@H](NCC1C2CC3CC(C2)CC1C3)C(N)=O	216898283	ISPBGSYALUEAKJ-DDNJXNFVSA-N	236.359	1.522	70	20	BDID	
Cc1cccc(C(=O)NCCn2ccnc2)c1F	161414862	GOBHDAPGGQDASF-UHFFFAOYSA-N	247.273	1.761	70	20	BDID	
O=C(N[C@H]1CCOC1)N1CCCCCCC1	159442676	AFQCOIVUURGIKN-NSHDSACASA-N	226.320	1.751	70	20	BDID	
CCOC(C)(C)CNC(=O)COC(C)(C)C	159784602	OZWLZKGBQLDKPW-UHFFFAOYSA-N	231.336	1.733	70	20	BDID	
O=C1CCc2cc(OS(=O)(=O)F)ccc2N1	1887504320	VRPZDCTVDXGOEA-UHFFFAOYSA-N	245.231	1.164	70	20	BDID	
CNC[C@@H]1CCCN1Cc1cncs1	159626069	SUFYCRNNOVQCFL-VIFPVBQESA-N	211.334	1.327	70	20	BDID	
CCC1(CNC(=O)[C@@H]2CCCNC2)CC1	159632701	FJMNFTLQMOSLEB-SNVBAGLBSA-N	210.321	1.292	70	20	BDID	
CC1(NCc2cc(C(N)=O)cs2)CCC1	159993977	MOHIYUXTYSTDJU-UHFFFAOYSA-N	224.329	1.879	70	20	BDID	
CC(C)(C)/C=C/C(=O)N[C@@H]1CCC[C@H]1O	161177822	SXSVOQARRMOLSZ-WENXHQBNSA-N	211.305	1.618	70	20	BDID	
Cc1cc(C(=O)Nc2ccncc2)ncn1	161297179	UDQHJMGPLXXQSI-UHFFFAOYSA-N	214.228	1.432	70	20	BDID	
CC1(NC(=O)CC(F)(F)F)CCNCC1	160575946	DPECTFHAQHDMQU-UHFFFAOYSA-N	224.226	1.197	70	20	BDID	
COCC(C)(C)C(=O)NCCc1ccco1	159485299	ODYWYZBNAJEDMJ-UHFFFAOYSA-N	225.288	1.611	70	20	BDID	
COc1ccc(C(=O)Nc2ccnc(C)c2)nn1	159924398	IHQJDKPHXGRFHS-UHFFFAOYSA-N	244.254	1.441	70	20	BDID	
O=C(NC[C@@H]1Cc2ccccc21)N[C@H]1CCOC1	159383270	QJMZRYMNZYJPFQ-RYUDHWBXSA-N	246.310	1.414	70	20	BDID	
CSC[C@@](C)(O)CNc1cc(C)ncn1	217507231	QCOQZZACBWEUTK-JTQLQIEISA-N	227.333	1.311	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)c1ccc(=O)[nH]n1	159608114	CWTPRFZKCBGZTQ-DTWKUNHWSA-N	235.287	1.078	70	20	BDID	
OC[C@@H]1CCCN(CCCN2CCCCC2)C1	161253505	YCETYMZPKLDFIP-CQSZACIVSA-N	240.391	1.567	70	20	BDID	
CSCC[C@H](C)N(C)C(=O)CNC1CC1	159624317	ODFWHQOCXOCJJH-VIFPVBQESA-N	230.377	1.338	70	20	BDID	
C[C@H](c1ccco1)N(C)Cc1nncn1C	160868746	BRHRPCFKCNISGZ-SECBINFHSA-N	220.276	1.601	70	20	BDID	
CC(C)[C@](C)(F)CS(=O)(=O)Cl	1537958629	HOCHGLGHJISWKZ-ZCFIWIBFSA-N	202.678	1.939	70	20	BDID	
CC(C)[C@H]1CN(S(=O)(=O)Cl)CCCO1	306782099	KDFKJPJWPOSJOS-MRVPVSSYSA-N	241.740	1.217	70	20	BDID	
CCC[C@H]1C[C@@H](S(=O)(=O)Cl)CCO1	112132182	WTBYSCKWNAXNBO-YUMQZZPRSA-N	226.725	1.903	70	20	BDID	
O=S(=O)(F)CCc1ccc(F)cc1	258050536	JZCYOQPPELKJHL-UHFFFAOYSA-N	206.213	1.668	70	20	BDID	
C[C@@H](N)C(=O)N[C@@H]1C[C@H]1c1c(F)cccc1F	161021062	LUAMPLPTCPHPQA-BRDIYROLSA-N	240.253	1.284	70	20	BDID	
COC(=O)c1cccc(CNc2cnccn2)c1	161290356	UDIDVWLSBCSHSA-UHFFFAOYSA-N	243.266	1.875	70	20	BDID	
Cc1cc(C(=O)N2C[C@@H](C)OC[C@H]2C)ncn1	161488579	CKOWUMDRPFPXLX-NXEZZACHSA-N	235.287	1.034	70	20	BDID	
CC(C)(C(=O)NCCCN)c1ccc(F)cc1	160061529	QNUJFHHYVLBVJR-UHFFFAOYSA-N	238.306	1.568	70	20	BDID	
CC[C@@H](Sc1nncc2ccccc12)C(N)=O	160238086	BPNNVUJVQWXVCP-SNVBAGLBSA-N	247.323	1.986	70	20	BDID	
C[C@@H]1CCCCN1C(=O)[C@H]1CCCCO1	159628509	LHJKSYYWOHOGBQ-GHMZBOCLSA-N	211.305	1.957	70	20	BDID	
O=S(=O)(F)c1onc(C2CC2)c1Cl	675051781	DZZQOGHNUFBSPX-UHFFFAOYSA-N	225.628	1.864	70	20	BDID	
CCOC(=O)[C@H](C(=O)OC)c1ccccc1	217483008	MKEPLEKEKQGSLV-JTQLQIEISA-N	222.240	1.506	70	20	BDID	
O=C(OC[C@@H]1CCOC1)c1ccncc1F	161434504	JCNGIFKXBDDVIV-MRVPVSSYSA-N	225.219	1.414	70	20	BDID	
CC(C)CS(=O)(=O)N1CCC[C@@H](C)C1	217158752	LBCOHATYDKASGO-SNVBAGLBSA-N	219.350	1.704	70	20	BDID	
Cc1noc(CCCC(=O)NC2CC=CC2)n1	161026965	USCQUHVRLZYIAE-UHFFFAOYSA-N	235.287	1.536	70	20	BDID	
CCC[C@@H](C(=O)NCCNC(C)=O)C(C)C	161246904	BNZUXVMHDSQDGQ-LLVKDONJSA-N	228.336	1.311	70	20	BDID	
CCc1nnc(NC(=O)CO[C@@H](C)CC)s1	160339457	XFFTVTRRDYSOLB-ZETCQYMHSA-N	243.332	1.854	70	20	BDID	
CCn1cnnc1CNCc1cccs1	218229849	CXZVEDRITKQAQX-UHFFFAOYSA-N	222.317	1.649	70	20	BDID	
CCc1nc(C(=O)N[C@@H](CO)CC(C)C)co1	159497414	RRZFCNHNCLNRQI-SECBINFHSA-N	240.303	1.374	70	20	BDID	
CC[C@H](CSC)N(C)CC(OC)OC	159668998	VPBNFUFHNVQXCR-SECBINFHSA-N	221.366	1.679	70	20	BDID	
CCN1CCC(N(C)CCn2ccnc2)CC1	161350826	QRVNJSLWOCDDSU-UHFFFAOYSA-N	236.363	1.299	70	20	BDID	
CCCC[C@@H](COC)NC(=O)[C@@H](N)C(C)(C)C	159651714	AMLWRBPQYQFJLE-WDEREUQCSA-N	244.379	1.681	70	20	BDID	
O=S(=O)(Cl)c1n[nH]c2ccccc12	148184352	NCQKSKZWCBADHX-UHFFFAOYSA-N	216.649	1.490	70	20	BDID	
Cc1ccc2c(c1)[C@H](NC(=O)CN(C)C)CO2	160126619	GVJDFJIYAOXWEB-LLVKDONJSA-N	234.299	1.106	70	20	BDID	
CC(C)c1cc(C(=O)NC2CC=CC2)n(C)n1	160879016	OHYZQBYQNLZGSS-UHFFFAOYSA-N	233.315	1.992	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cc(C(N)=O)c[nH]1	159621834	WEEXDKQKVJRVOX-PSASIEDQSA-N	249.314	1.422	70	20	BDID	
CCC(CC)CNC(=O)N[C@@H](C)CCO	160604205	YRNATCRXEWJUNS-VIFPVBQESA-N	216.325	1.493	70	20	BDID	
CC[C@H](C)[C@@H](O)CNC(=O)[C@@H]1CCCCO1	161051809	LFJPLPXFFSQULG-DCAQKATOSA-N	229.320	1.079	70	20	BDID	
CCC(C)(C)NC(=O)N[C@H]1CCOC1	159554847	QFTTZXSAQXMAMY-QMMMGPOBSA-N	200.282	1.263	70	20	BDID	
C[C@@H]1CN(C(=O)c2ccncc2F)CCO1	161386672	FCSRAOJIFOXHPV-MRVPVSSYSA-N	224.235	1.082	70	20	BDID	
COC(=O)CCC(=O)N1[C@@H](C)CC[C@H]1C	161437832	FVZASPZBNBJWLK-DTORHVGOSA-N	213.277	1.339	70	20	BDID	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1cn[nH]c1	159826656	VYGACSWGFZQQNY-SSDOTTSWSA-N	247.302	1.882	70	20	BDID	
CCSCCN1CCC[C@H](OC)C1	160439607	BIBMOHFGEWVGGE-JTQLQIEISA-N	203.351	1.850	70	20	BDID	
CC[C@@H](C)NC(=O)N[C@@H]1CC(=O)N(C(C)C)C1	217287989	FMECXNFHJLHIQI-NXEZZACHSA-N	241.335	1.093	70	20	BDID	
CCc1ncnc(NCCC(=O)N(C)C)c1F	217977431	GLVWBTOJQIRPRL-UHFFFAOYSA-N	240.282	1.068	70	20	BDID	
CCc1csc(NCCn2ccnn2)n1	159626587	VOYMVCALIXNABN-UHFFFAOYSA-N	223.305	1.409	70	20	BDID	
CCC1(CNC(=O)[C@@H]2CSCN2)CCC1	159633301	VDYCGDMOGDUVIX-VIFPVBQESA-N	228.361	1.345	70	20	BDID	
COc1ccc(CN(C)Cc2nncn2C)cc1	160682640	RWOWJGSNJRWCDU-UHFFFAOYSA-N	246.314	1.456	70	20	BDID	
CCc1nsc(N2CCC[C@@](C)(O)C2)n1	160844728	VAJHLGAUPYVPOF-SNVBAGLBSA-N	227.333	1.452	70	20	BDID	
CS[C@H](C)CNC(=O)c1ncccc1O	159531205	OHGFLFPFZVXLCZ-SSDOTTSWSA-N	226.301	1.269	70	20	BDID	
CN(CCOc1ccccc1)Cc1nncn1C	160684129	VGUPYDBJXKPHNQ-UHFFFAOYSA-N	246.314	1.326	70	20	BDID	
CCN(CC)C(=O)[C@@H](C)S[C@@H](C)CO	160752863	QKKBOFIMACFJOF-DTWKUNHWSA-N	219.350	1.357	70	20	BDID	
COCCCN(C)Cc1nccn1C(C)C	160858169	JBJIPIWFMJLUKM-UHFFFAOYSA-N	225.336	1.932	70	20	BDID	
CC(C)N(C)C(=O)[C@@H]1CCC(=O)C[C@H]1C	159520446	BVOBYAZKVBIYAE-MWLCHTKSSA-N	211.305	1.859	70	20	BDID	
O=C(OCC1CC1)c1cnc(OCC2CC2)cn1	217080838	UVLJRZKCUFGQLE-UHFFFAOYSA-N	248.282	1.832	70	20	BDID	
COCCCSCCN1CCOCC1	160060986	HSWFHWFHRFQCQS-UHFFFAOYSA-N	219.350	1.088	70	20	BDID	
CC[C@@]1(C)C[C@H]1C(=O)NCC(=O)NC(C)(C)C	160158721	IZCUTXSCVIVFEI-ZANVPECISA-N	240.347	1.454	70	20	BDID	
CCC(C)(CC)C(=O)N[C@H](C)CCO	159441946	KIKVZUNILIFURX-SECBINFHSA-N	201.310	1.700	70	20	BDID	
C[C@@H](N)C(=O)N[C@@H]1c2ccccc2C[C@H]1C	159882115	JZEDQGPXBHPLOZ-LNLATYFQSA-N	218.300	1.383	70	20	BDID	
NC(=O)[C@H]1CCCN1CC1CCCCCC1	160363985	VUTSKZSCHNFTFK-GFCCVEGCSA-N	224.348	1.907	70	20	BDID	
C[C@@H]1NCCC[C@@H]1NC(=O)c1ccco1	160533900	LACVYFSLRCVWNG-IUCAKERBSA-N	208.261	1.150	70	20	BDID	
C[C@H](N)C(=O)N[C@@H](C)[C@H](C)c1ccccc1	160889399	VMCVLWFZNCLSNO-DCAQKATOSA-N	220.316	1.642	70	20	BDID	
Cc1nc2n(c1S(=O)(=O)Cl)CCC2	215836413	ACVQSSGCZAFVJE-UHFFFAOYSA-N	220.681	1.065	70	20	BDID	
C[C@@H](N[C@@H]1CCC[C@H](N(C)C)C1)[C@@H]1CCOC1	161026881	AFNWDBFJZJVSSY-SYQHCUMBSA-N	240.391	1.874	70	20	BDID	
C[C@@H](CCCO)N[C@@H](C)c1cscn1	161222407	BWYOIKVKEKMLKH-IUCAKERBSA-N	214.334	1.955	70	20	BDID	
CC(C)CCCNC(=O)N1CCC[C@](C)(O)C1	160282514	BEOYLXLOGLRVJW-ZDUSSCGKSA-N	242.363	1.979	70	20	BDID	
C/C(=C\C(=O)N1CCNCC1)C(C)(C)C	159362493	RJYXSFWXCNRLEB-MDZDMXLPSA-N	210.321	1.411	70	20	BDID	
CS[C@H]1CCC[C@H](NC(=O)C2(N)CC2)C1	159569527	YBAZGGVUZNOGCJ-IUCAKERBSA-N	228.361	1.268	70	20	BDID	
CSCC[C@@H](N)C(=O)NC[C@H]1CCCS1	160895147	DEQSCBLXRNPKRV-RKDXNWHRSA-N	248.417	1.079	70	20	BDID	
Cc1cc(N2CCC3(CC2)OCCO3)ccn1	160916860	HSBUMQMIZBSYMY-UHFFFAOYSA-N	234.299	1.733	70	20	BDID	
O=c1cc[nH]c2c(S(=O)(=O)Cl)cccc12	100545896	GBDMMYKILDPQNA-UHFFFAOYSA-N	243.671	1.456	70	20	BDID	
CCn1nc(C)c(CS(=O)(=O)Cl)c1C	306470443	QQLPGHFQNCAOQC-UHFFFAOYSA-N	236.724	1.588	70	20	BDID	
F[B-](F)(F)c1csc(N2CCCC2)n1	328578352	IWTJFVFAXWYUHM-UHFFFAOYSA-N	221.036	1.798	70	20	BDID	
Cc1cccc(-c2nc(-c3nnc[nH]3)no2)c1F	161425647	MBQADKCUZQTUOP-UHFFFAOYSA-N	245.217	1.969	70	20	BDID	
COCC(C)(C)C(=O)Nc1ccncc1	160348625	UEWZXPWRHBNWOJ-UHFFFAOYSA-N	208.261	1.693	70	20	BDID	
CNC(=O)CCN1CC[C@@H]2CCCC[C@@H]21	159688703	VWLKYLLKOKOYPU-QWRGUYRKSA-N	210.321	1.387	70	20	BDID	
C[C@H]1CN(C(=O)c2ccncc2F)CCO1	161386804	FCSRAOJIFOXHPV-QMMMGPOBSA-N	224.235	1.082	70	20	BDID	
CCOCCCNC(=O)Nc1ccc(C)nc1	161412321	DPFDXRNQLUAJFA-UHFFFAOYSA-N	237.303	1.938	70	20	BDID	
O=C(NCC1(C2CC2)CC1)C1=COCCO1	159846485	ODDQPZHZKUXPPN-UHFFFAOYSA-N	223.272	1.181	70	20	BDID	
CC(C)CONC(=O)C(=O)Nc1ccccc1	159879983	ZSUJFFFPWZFXDA-UHFFFAOYSA-N	236.271	1.329	70	20	BDID	
CC(C)[C@@H](C)NC(=O)[C@]1(C)CCCCN1	159556078	IRRSAGDAIVIKIF-PWSUYJOCSA-N	212.337	1.679	70	20	BDID	
CCN(C)C(=O)NC[C@@]1(C)CCCNC1	159987198	XOIRAAZZLOXROK-NSHDSACASA-N	213.325	1.037	70	20	BDID	
CCN[C@@H](C)C(=O)NCCCc1ccccc1	218356036	TYNGMZAMYDFLKX-LBPRGKRZSA-N	234.343	1.733	70	20	BDID	
CCc1ncnc(NCCc2cnn(C)c2)c1F	217978475	VHKSRBCVZGOAJX-UHFFFAOYSA-N	249.293	1.566	70	20	BDID	
CC[C@H](C)N(C)CCN[C@@H](C)CCOC	160140835	BWGUQWBYQRKPMN-RYUDHWBXSA-N	216.369	1.731	70	20	BDID	
CC1CCN(C(=O)N2CCCO[C@H](C)C2)CC1	160534730	NDSNHCODQPTKMH-GFCCVEGCSA-N	240.347	1.949	70	20	BDID	
CCCC[C@@H](CN)NC(=O)[C@]1(C)CCCNC1	161283814	OYTYKJWAVHQRGU-WCQYABFASA-N	241.379	1.010	70	20	BDID	
CCS[C@H](C(=O)N1CC[C@@H](NC)C1)C(C)C	160806572	KRIUQRBCCUSGDT-MNOVXSKESA-N	244.404	1.584	70	20	BDID	
Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@H](C)CO	160886559	ZKMUZVLIJKFUQI-YUMQZZPRSA-N	240.303	1.282	70	20	BDID	
CC[C@H]1CCCN(C(=O)N[C@@H]2CCOC2)CC1	159450933	AJNFUTSOXCGUAX-NWDGAFQWSA-N	240.347	1.997	70	20	BDID	
COCCN(CC(C)C)C(=O)N[C@@H]1CCOC1	159453552	FZRATHAYRBDNNN-LLVKDONJSA-N	244.335	1.089	70	20	BDID	
CCCCc1noc([C@@H](C)N(C)C[C@@H](C)O)n1	159563511	OETGGEOAHLYSSX-NXEZZACHSA-N	241.335	1.786	70	20	BDID	
CC[C@H](O)CCN[C@@H]1CCCC[C@@H]1CN	218753379	CWXDTIMBXKHQQS-GRYCIOLGSA-N	214.353	1.255	70	20	BDID	
CC(C)(CCO)NC(=O)C[C@H]1C=CCC1	160784726	IJYVVOZALMNAFA-JTQLQIEISA-N	211.305	1.620	70	20	BDID	
CC[C@@H](C)CS(=O)(=O)NCc1ccncc1	159490855	AQOSTYNLWMUZMA-SNVBAGLBSA-N	242.344	1.547	70	20	BDID	
O=C(O)c1ccccc1S(=O)(=O)F	164279035	FHYFFQJSYIHOJP-UHFFFAOYSA-N	204.178	1.043	70	20	BDID	
COCC[C@H](C)N[C@H](CCO)CSC	160376911	FJGCFCMZXBEPJX-VHSXEESVSA-N	221.366	1.115	70	20	BDID	
CCC(C)(CC)C(=O)NCC(=O)NCC1CC1	159456917	VMRHTMJVXUDQSF-UHFFFAOYSA-N	240.347	1.455	70	20	BDID	
CSC[C@@H](C)NC(=O)c1cccc(F)n1	159939206	LQEKOLMAMFPFEO-SSDOTTSWSA-N	228.292	1.702	70	20	BDID	
O=C(CCCc1ccccc1)NOCCO	160000423	JABVPMSOZSHFHN-UHFFFAOYSA-N	223.272	1.049	70	20	BDID	
CSCCNC(=O)N(C)C[C@@H]1CCC[C@@H]1O	160482740	YUQIRJFFQWKYMA-UWVGGRQHSA-N	246.376	1.152	70	20	BDID	
C[C@@H](CC(=O)NC1(CO)CC1)C(C)(C)C	161080461	MLOGGRRNDRJWFZ-VIFPVBQESA-N	213.321	1.700	70	20	BDID	
C[C@H](NCC1(C)COC1)c1cscn1	161197347	BRTWZAPTNFIKFE-QMMMGPOBSA-N	212.318	1.830	70	20	BDID	
Cc1cccc(C(=O)N2CCO[C@@H](C)C2)c1F	161426963	JGTUWFUWPVCJAR-JTQLQIEISA-N	237.274	1.995	70	20	BDID	
O=S(=O)(Cl)c1cccc(F)c1O	104538213	XAMYNOWCRCTLPV-UHFFFAOYSA-N	210.613	1.459	70	20	BDID	
CCC[C@H](C(=O)Nc1ncnn1C)C(C)C	161026234	XUICYCQNNMUGHF-VIFPVBQESA-N	224.308	1.826	70	20	BDID	
Cc1ccc(NC(=O)NCC[C@H](C)O)cn1	161339318	DHOBMLGOTQUVHN-VIFPVBQESA-N	223.276	1.282	70	20	BDID	
CC(C)[C@H](C)NC(=O)N1CC[C@@H](CO)C1	160885613	YERNLLFDCLSBGF-VHSXEESVSA-N	214.309	1.055	70	20	BDID	
Cc1noc([C@H]2COCCN2CC2CCC2)n1	160929796	JWYYPXQZUIOYAD-LLVKDONJSA-N	237.303	1.551	70	20	BDID	
Cc1cc(NC(=O)C2[C@H]3CCC[C@H]23)c[nH]c1=O	159483233	CZEJSMMYHKLDPT-UWVGGRQHSA-N	232.283	1.668	70	20	BDID	
COC[C@H](NCCCN1CCCC1=O)C(C)C	159554505	SLJVYQFHHGXGEK-LBPRGKRZSA-N	242.363	1.260	70	20	BDID	
Cc1cccc(O[C@@H](C)C(=O)N2CC[C@@H](N)C2)c1	160182803	YOMGVEKOYDMCAY-NWDGAFQWSA-N	248.326	1.322	70	20	BDID	
Cc1ccsc1[C@H](C)N[C@@H](C)CC(N)=O	160668857	NCSZPHBCRZBJOY-IUCAKERBSA-N	226.345	1.971	70	20	BDID	
CCOC(=O)[C@@H]1CCCCN1Cc1cc[nH]n1	161282506	NZIHHCVNPFZKHR-NSHDSACASA-N	237.303	1.327	70	20	BDID	
C[C@H]1CC[C@@H](C)N(S(=O)(=O)Cl)C1	114641582	SYJDOIGIKCDIEF-NKWVEPMBSA-N	211.714	1.590	70	20	BDID	
CCCCO[C@@H](C)C(=O)N1CCC[C@H]1CNC	161347246	IFKYTVXTKDUTTJ-RYUDHWBXSA-N	242.363	1.402	70	20	BDID	
COc1ccc(C(=O)N(C)[C@H](C)CO)c(C)c1	160568505	RZJHDSVYJTUKEQ-SNVBAGLBSA-N	237.299	1.456	70	20	BDID	
CC[C@@H](C)CN(CC)C(=O)N[C@H]1CCOC1	159544339	SGKWVCDHKQZESR-MNOVXSKESA-N	228.336	1.853	70	20	BDID	
COC(=O)CCNC(=O)[C@@H]1CCC[C@@H](C)C1	159837272	GCRGCQLBOMZPMV-NXEZZACHSA-N	227.304	1.492	70	20	BDID	
C[C@H](CCCO)NC(=O)c1cncs1	217866108	QNVNPPLWMQBNIU-SSDOTTSWSA-N	214.290	1.034	70	20	BDID	
CO[C@H]1C[C@H](S(=O)(=O)Cl)C12CCC2	306417790	YYBUSZVHLQZHAA-BQBZGAKWSA-N	224.709	1.513	70	20	BDID	
Cc1nn(Cc2cncs2)c(C)c1N	159617244	GOJXGSUVYJKQRG-UHFFFAOYSA-N	208.290	1.587	70	20	BDID	
CC(C)c1ncc(C(=O)NC2(CO)CC2)s1	160301040	QKCCIWJYYBMMAI-UHFFFAOYSA-N	240.328	1.521	70	20	BDID	
CCN(CCNC(=O)NC1(C)CCC1)C(C)C	160523386	IXBRUFIKNRZUPA-UHFFFAOYSA-N	241.379	1.959	70	20	BDID	
CC/C=C(\C)C(=O)N[C@@H]1CCC[C@@H]1CN	216751774	RJPHEYQNVAREQT-UJQHZETGSA-N	210.321	1.586	70	20	BDID	
Cc1ccc(NC(=O)c2cc(C)ncn2)nc1	161475233	COILMMJLTINDRT-UHFFFAOYSA-N	228.255	1.741	70	20	BDID	
Cc1cc(NC(=O)Cn2cc(C3CC3)nn2)no1	159600106	RWHOGEHSLXSXHV-UHFFFAOYSA-N	247.258	1.091	70	20	BDID	
Cc1cccc(NC(=O)c2cccc(=O)n2C)n1	159751514	MSDPIHKYBPQTAS-UHFFFAOYSA-N	243.266	1.341	70	20	BDID	
CN(C)c1ccc(C(=O)OCCCCO)cc1	218693897	WPXVUAPIJMTKGD-UHFFFAOYSA-N	237.299	1.682	70	20	BDID	
COc1cccnc1N(C)CC(C)(C)O	160311632	OOHFGCYZLYRJJR-UHFFFAOYSA-N	210.277	1.297	70	20	BDID	
Cc1cnccc1CN[C@H]1CCN(C)C1	160594505	UEIBEFNEIQBRGV-LBPRGKRZSA-N	205.305	1.184	70	20	BDID	
COC(=O)CCCn1cnc(C(C)C)cc1=O	160811530	RBPOYDQQHSMTRI-UHFFFAOYSA-N	238.287	1.320	70	20	BDID	
COC[C@H](C)N[C@@H](C)c1cscn1	161127143	CYEWUGBEFFGBGP-YUMQZZPRSA-N	200.307	1.829	70	20	BDID	
CCNC(=O)[C@@H](C)N[C@H](C)c1cscn1	161142611	USBTUHZXUKOCLG-HTQZYQBOSA-N	227.333	1.318	70	20	BDID	
O=C(CC1CCC1)NCCSCCCO	161473738	HTQLXZHTAMULCM-UHFFFAOYSA-N	231.361	1.408	70	20	BDID	
CC[C@]1(C)C[C@@H]1C(=O)NCCNC(=O)C1CC1	159780083	GUVFFELQESMAPP-ZWNOBZJWSA-N	238.331	1.065	70	20	BDID	
O=C(O)c1cscc1S(=O)(=O)Cl	100656126	MMLNWWZFLCSBQJ-UHFFFAOYSA-N	226.662	1.374	70	20	BDID	
C[C@@H](Cc1ccc(Cl)cc1)NCCN	218187631	FUBSTVUYRHCNSD-VIFPVBQESA-N	212.724	1.819	70	20	BDID	
O=C(Nc1ccccn1)[C@H]1CCCCO1	161202951	DVNAYFFJQBGRAT-SECBINFHSA-N	206.245	1.589	70	20	BDID	
CC(C)C[C@H]1CCCN(C(=O)[C@H]2CCNC2)C1	161476486	HVWUPCPVSYFZIA-OLZOCXBDSA-N	238.375	1.881	70	20	BDID	
CCC[C@@H](CC)NC(=O)c1cccc(=O)n1C	161493061	BHEVJYXFOYXAKY-SNVBAGLBSA-N	236.315	1.694	70	20	BDID	
CS(=O)(=O)CCCCSc1ccncc1	159953784	VGGUTPTYWSXDGQ-UHFFFAOYSA-N	245.369	1.999	70	20	BDID	
CC(C)(C1CCOCC1)S(=O)(=O)Cl	259398265	XEYMTSYTTVQHSR-UHFFFAOYSA-N	226.725	1.760	70	20	BDID	
CN1CCc2ccc(S(=O)(=O)F)cc21	675062918	CYZUEGVVSKEHAC-UHFFFAOYSA-N	215.249	1.337	70	20	BDID	
CCOCCCNC(=O)NC(CC)CC	217304908	JHFVBCBRHNAJIX-UHFFFAOYSA-N	216.325	1.901	70	20	BDID	
CC1CCN(C(=O)N2C[C@@H](C)OC[C@@H]2C)CC1	160360070	RVOZQNYJNBOVIY-NWDGAFQWSA-N	240.347	1.948	70	20	BDID	
CC(C)(C)CC(=O)NC1(C)CCNCC1	160570377	YCMGHSFHONENRF-UHFFFAOYSA-N	212.337	1.681	70	20	BDID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)c1ccco1)CC2	160483051	SWMZUMUJENZYQP-GXSJLCMTSA-N	246.314	1.845	70	20	BDID	
CC[C@@H](C)OCC(=O)N(CC)C[C@@H]1CCCO1	160720391	DIOGCXSXVIFADY-NEPJUHHUSA-N	243.347	1.829	70	20	BDID	
CS[C@@H](C)CNC(=S)NCC(C)C	159575440	NCTMUUPMMGRKAG-QMMMGPOBSA-N	220.407	1.858	70	20	BDID	
CCOCCCN1CCC[C@@H](n2cccn2)C1	160254543	RQGMTVFGAXEDRY-CYBMUJFWSA-N	237.347	1.947	70	20	BDID	
CC[C@@H](C)[C@@H](O)CNC(=O)C(CC)(CC)CN	161224873	GFDUDDDNDZBJKF-MNOVXSKESA-N	244.379	1.275	70	20	BDID	
CCO[C@@H](c1ccccc1)c1noc(CON)n1	159952934	NNDDTFJPCRCWJA-NSHDSACASA-N	249.270	1.586	70	20	BDID	
CO[C@H]1CCCN(CCCN2CCCCC2)C1	160883106	VDOHOEPFIIMJNP-AWEZNQCLSA-N	240.391	1.973	70	20	BDID	
CO[C@@H](C)C(=O)N(C)CCC(F)(F)F	160554911	BWFLHGRDXSHEID-LURJTMIESA-N	213.199	1.432	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)[C@@H](C)C1CC1	160679587	BZVNAUPDTUQELI-ONGXEEELSA-N	213.321	1.556	70	20	BDID	
COC(=O)c1cnc(NCCOC(C)C)s1	159413243	VIEZRNOYAPSZSZ-UHFFFAOYSA-N	244.316	1.767	70	20	BDID	
CCC(CC)CNC(=O)[C@@H]1CCn2ccnc2C1	161433411	QJVUHJIIJARLDK-GFCCVEGCSA-N	249.358	1.998	70	20	BDID	
CCN1CC[C@H](NC2CCN(C)CC2)[C@H](C)C1	161450122	HGFZWJYZCSMVLW-OCCSQVGLSA-N	239.407	1.401	70	20	BDID	
CCN(CCCO)C(=O)c1cc(Cl)c[nH]1	160313064	TYQCYFUSKQXQSD-UHFFFAOYSA-N	230.695	1.513	70	20	BDID	
C[C@@H](CO)CNC(=O)c1cc2ccccc2n1C	160446880	IJMLWLCVNPPCQV-SNVBAGLBSA-N	246.310	1.537	70	20	BDID	
CCc1ncnc(S[C@H](C)CO)c1F	218052350	KNYHQXRAJJDKRY-ZCFIWIBFSA-N	216.281	1.651	70	20	BDID	
CC[C@H](O)CCN[C@H]1CCO[C@@H](CC)C1	218753261	CJSJWOHNKPCJHL-SRVKXCTJSA-N	215.337	1.695	70	20	BDID	
CNc1cc(NCCOC(C)C)ncn1	159416408	VFLCBQRPWGOCGH-UHFFFAOYSA-N	210.281	1.355	70	20	BDID	
CCCC[C@H](C(=O)OC)N(C)CCOC	160797831	VJWMKRIPIATFIP-SNVBAGLBSA-N	217.309	1.296	70	20	BDID	
CNC(=S)N[C@H]1CCOC(C)(C)C1	159748831	VVAYJYXTBRPFSX-ZETCQYMHSA-N	202.323	1.038	70	20	BDID	
O=C(NCc1ccccc1F)C(F)F	217664087	UVWGRFOMAPXRBR-UHFFFAOYSA-N	203.163	1.707	70	20	BDID	
C[C@@H](O)C[C@@H]1CCCN1Cc1cscn1	159372803	LSPKEDCGFLVZCU-KOLCDFICSA-N	226.345	1.878	70	20	BDID	
N[C@H]1CCC[C@H](NC(=O)c2ccc(Cl)o2)C1	161134840	HHPGPBIHJAXRBG-YUMQZZPRSA-N	242.706	1.933	70	20	BDID	
C[C@]1(NC(=O)c2ccncc2Cl)CCOC1	160214597	QFBVLABUAXEWFU-NSHDSACASA-N	240.690	1.644	70	20	BDID	
C[C@H](CC(=O)N(C)CCN(C)C)c1ccncc1	161111885	DLQRTFGUFMWLSU-GFCCVEGCSA-N	249.358	1.595	70	20	BDID	
CCCNC(=O)Cn1nc(C2CC2)nc1C1CC1	161478954	HDQRZFYLYZZPJJ-UHFFFAOYSA-N	248.330	1.559	70	20	BDID	
O=S(=O)(Nc1ccc(Cl)cc1O)C1CC1	160402965	XLTMQHOBHLDHFN-UHFFFAOYSA-N	247.703	1.950	70	20	BDID	
CS[C@@H](C)CC(=O)NC[C@H](C1CC1)N(C)C	160449328	HEKFTPYMTKUUAI-GXSJLCMTSA-N	244.404	1.584	70	20	BDID	
Cn1cnnc1CN1CCSc2ccccc21	160683233	HZLNDXYFYBZQHC-UHFFFAOYSA-N	246.339	1.927	70	20	BDID	
CC(C)NC(=O)CN(C)OCc1ccccc1	159640715	DMKWFJBCZXQURX-UHFFFAOYSA-N	236.315	1.575	70	20	BDID	
CCOCC(C)(C)CS(=O)(=O)Cl	114433373	AGIXETHDMASIHQ-UHFFFAOYSA-N	214.714	1.618	70	20	BDID	
C[C@H](O)CCc1ccc(OS(=O)(=O)F)cc1	1887484544	NUDIHGFOVWZDFV-QMMMGPOBSA-N	248.275	1.593	70	20	BDID	
Cc1ccnc(N[C@@H]2CCCN(C(=O)O)C2)c1	217887871	QORADLZUKCAFIW-SNVBAGLBSA-N	235.287	1.944	70	20	BDID	
C[C@@H](CCCO)N[C@H](C)c1cscn1	161222656	BWYOIKVKEKMLKH-DTWKUNHWSA-N	214.334	1.955	70	20	BDID	
C[C@@H]1CC[C@@H](C)N1C(=O)c1ccnn1C	161469709	QDUZPSHFBUAZTJ-RKDXNWHRSA-N	207.277	1.433	70	20	BDID	
CN1c2ccccc2C(=O)N[C@@H]1c1ccn(C)c1	160230838	YDEBRRLMVZINHR-ZDUSSCGKSA-N	241.294	1.904	70	20	BDID	
O=C(NOCc1cccnc1)[C@@H]1CC=CCC1	160731967	UOMDMAGHDVNUBY-GFCCVEGCSA-N	232.283	1.986	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)CC1CC1	160822762	VVRMLKRPTMVYPZ-MRVPVSSYSA-N	213.277	1.244	70	20	BDID	
Cc1cc(NC(=O)c2ccsc2)c[nH]c1=O	159509864	DRKVSHAEJWUZKY-UHFFFAOYSA-N	234.280	1.997	70	20	BDID	
Cc1ccc(NC(=O)N[C@@H]2CCOC2)cn1	159470901	XZQAQPJXFVGZKW-SNVBAGLBSA-N	221.260	1.300	70	20	BDID	
CC(C)COCCCNC(=O)C1(C)CC1	159710964	WKHRAIUIIAYUPI-UHFFFAOYSA-N	213.321	1.965	70	20	BDID	
CC(C)CN(CC(N)=O)C(=O)[C@H]1CC=CCC1	159767883	XHXRZIQCKZYRNM-NSHDSACASA-N	238.331	1.313	70	20	BDID	
CCC(CC)(CN)C(=O)NC1CC(C)C1	159417349	WBOBOSICODMLGE-UHFFFAOYSA-N	212.337	1.666	70	20	BDID	
Cc1ccc(OCC[C@H]2CCNC2)nc1	159515144	PZERYWCVNPYLHE-LLVKDONJSA-N	206.289	1.768	70	20	BDID	
CC[C@@H](C)C(=O)NC[C@@]1(C)CCCNC1	159958220	UXZFRIZLUOTPFN-PWSUYJOCSA-N	212.337	1.538	70	20	BDID	
Cc1[nH]ncc1C(=O)N1CC[C@H](C)[C@@H](C)C1	160866624	ZFEKIUWSMYWHJK-IUCAKERBSA-N	221.304	1.836	70	20	BDID	
C[C@H](NCc1cnn(C)c1)c1cscn1	161162958	MLIKUKOUEHSKDJ-QMMMGPOBSA-N	222.317	1.727	70	20	BDID	
O=C(Nc1cccc(F)c1)N[C@H]1CCOC1	159390931	MKNPUWMGDGVOEZ-JTQLQIEISA-N	224.235	1.736	70	20	BDID	
CC[C@@H](C)OCC(=O)N(C)Cc1nccs1	159781087	VZMDPNYGEPGAQM-SECBINFHSA-N	242.344	1.917	70	20	BDID	
C[C@H](Cc1ccc(Cl)cc1)N(C)C(=O)CN	161051855	LBJZJPRYCKSJPS-SECBINFHSA-N	240.734	1.688	70	20	BDID	
C[C@H](CO)SCCCn1ccnc1	161229945	VUZOIOGJKHRGJV-SECBINFHSA-N	200.307	1.387	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)C1[C@H]2CCC[C@@H]12	160420787	NJYVUSIVZTXNEE-GHXJOQNMSA-N	239.315	1.490	70	20	BDID	
CN(CCOCC1CC1)C[C@H]1CCCCO1	159536348	KGZRTNXWFBPGPZ-CYBMUJFWSA-N	227.348	1.914	70	20	BDID	
C[C@H](CO)S[C@H](C)C(=O)OC(C)(C)C	160738177	BBGQWKVZQIODPF-HTQZYQBOSA-N	220.334	1.831	70	20	BDID	
CCOC(=O)C1(C(=O)NCC(F)F)CCC1	159422423	JCMHKXZHTIGPPF-UHFFFAOYSA-N	235.230	1.101	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)[C@@H]1CCC(=O)NC1	159678108	UCOFWSITNYXNLO-HBNTYKKESA-N	238.331	1.208	70	20	BDID	
CCc1nc(CN[C@H](C)C2CCOCC2)n[nH]1	160465456	UGRHIWVWOLLGKL-SECBINFHSA-N	238.335	1.272	70	20	BDID	
CC[C@@H](Cc1ccc(C)cc1)NCCN	218286919	HKSOTLKGTUGERG-ZDUSSCGKSA-N	206.333	1.864	70	20	BDID	
CC(C)[C@H](C)C(=O)N1CC[C@@H]2CNC[C@@H]21	216635854	COVCPXFSFDHPAU-AXFHLTTASA-N	210.321	1.099	70	20	BDID	
CCCCCCN(CCC)CC(N)=O	218722823	ZFDHFIPRRYERPS-UHFFFAOYSA-N	200.326	1.764	70	20	BDID	
CC[C@H](N)C(=O)N1CCCC[C@@H]1C(C)C	160425566	BGFLNXWUOLEMBP-WDEREUQCSA-N	212.337	1.761	70	20	BDID	
CCc1cc(O)nc(CN(CC)CC)n1	160570478	DRZKFFXMXOTSDS-UHFFFAOYSA-N	209.293	1.586	70	20	BDID	
Cc1nn(C)c(C)c1C(=O)C(=O)NC1CC=CC1	161076541	MXMMDIGOLCCCAI-UHFFFAOYSA-N	247.298	1.054	70	20	BDID	
CCCN(C)C(=O)NCCCC(=O)OC(C)C	160033529	XNQBXSIMGSSKAY-UHFFFAOYSA-N	244.335	1.770	70	20	BDID	
CS[C@@H](C)CC(=O)N[C@@H](CO)CC(C)C	160845656	CJCHRLVRHQXLIW-VHSXEESVSA-N	233.377	1.651	70	20	BDID	
CC1(C)C(NC(=O)N[C@@H]2CCOC2)C1(C)C	159419319	URKOEXRVJMEBMT-MRVPVSSYSA-N	226.320	1.509	70	20	BDID	
Cc1cc(N[C@H](C)C(=O)N(C)C(C)C)nn1C	159618108	NSMJSSFKSDYFTJ-SNVBAGLBSA-N	238.335	1.396	70	20	BDID	
C[C@@H]1SCCN(C(=O)N[C@@H]2CCOC2)[C@H]1C	159434063	MZPUKDMMXNBBNN-LPEHRKFASA-N	244.360	1.311	70	20	BDID	
OC1(CN2Cc3ccccc3C2)CCOCC1	160024209	NCWDSELNPMPPSR-UHFFFAOYSA-N	233.311	1.544	70	20	BDID	
CCN(CCCO)C(=O)c1scnc1C	160323294	LICLUECBOISGMJ-UHFFFAOYSA-N	228.317	1.296	70	20	BDID	
O=C([C@H]1CCCCN1)N1CCC2(CCC2)C1	160620639	JLXIEDIHDVBZMB-LLVKDONJSA-N	222.332	1.531	70	20	BDID	
CCCC[C@@H](C(=O)OC)N1CCCOCC1	160799056	FBKCQYMLTHAUEA-NSHDSACASA-N	229.320	1.441	70	20	BDID	
Cc1cccc(C)c1CCNC(=O)[C@@H](N)C(C)C	160212962	LFKAURSICIUMKO-AWEZNQCLSA-N	248.370	1.945	70	20	BDID	
C[C@H](CCO)NC(=O)N[C@H](C)c1ccccn1	161146435	RCLPFLUUULLDTH-NXEZZACHSA-N	237.303	1.213	70	20	BDID	
CCCC[C@H](CC)N[C@@H](C)CC(N)=O	160674008	UMLTXTDKMKQPJZ-UWVGGRQHSA-N	200.326	1.809	70	20	BDID	
CC[C@H](C)CN(CC)C(=O)N[C@H]1CCOC1	159544483	SGKWVCDHKQZESR-QWRGUYRKSA-N	228.336	1.853	70	20	BDID	
CC(C)C[C@@H]1CCN(C(=O)[C@H]2CCCNC2)C1	159612482	UUXTUFFNNSQCCL-STQMWFEESA-N	238.375	1.881	70	20	BDID	
C[C@H]1CCC[C@@H](C(=O)N2CCNCC2)C1	159411052	UHSQMJPCOWNLBD-WDEREUQCSA-N	210.321	1.245	70	20	BDID	
COc1cc(F)cc(NC(=O)c2c[nH]nn2)c1	161259282	VRCDVWFQZHDVII-UHFFFAOYSA-N	236.206	1.205	70	20	BDID	
COc1cccnc1NCC1(CO)CC1	160256079	FMHPBLXBKNCIHJ-UHFFFAOYSA-N	208.261	1.275	70	20	BDID	
CCC[C@H](C)C(=O)N[C@@H](C)CC(=O)OCC	160733839	UGGAZADADZSUGM-UWVGGRQHSA-N	229.320	1.881	70	20	BDID	
COc1ccc(NC(=O)C(F)F)cc1	217599130	AWUXFHCDHZNZJP-UHFFFAOYSA-N	201.172	1.899	70	20	BDID	
CC1(NC(=O)[C@H]2CC23CCNCC3)CC1	160698622	DORQNMPBCKTROX-SECBINFHSA-N	208.305	1.045	70	20	BDID	
N[C@@H]1CCC[C@@H](NC(=O)c2cccs2)C1	160973110	VHNNWQVSADQKBV-RKDXNWHRSA-N	224.329	1.748	70	20	BDID	
CC[C@H](C)n1ccc(CS(=O)(=O)Cl)n1	113264804	JWZRDUHFHHNSLH-ZETCQYMHSA-N	236.724	1.923	70	20	BDID	
CCO[C@H]1C[C@@H](NC(=O)[C@@H](C)N)C12CCCC2	161112156	KJLQENRHMSEIHQ-MXWKQRLJSA-N	240.347	1.188	70	20	BDID	
CC1CCN(C(=O)NC[C@@H]2CCN(C)C2)CC1	160378474	IKUFGBKNDFAXHA-LBPRGKRZSA-N	239.363	1.380	70	20	BDID	
CCOC(=O)COCCSc1ccncc1	159953210	NWGBCAWPXZHKOP-UHFFFAOYSA-N	241.312	1.753	70	20	BDID	
CCCN(CC1CC1)C(=O)N[C@@H]1CCOC1	159566568	FGGTUJNPXGJZAV-LLVKDONJSA-N	226.320	1.607	70	20	BDID	
CN(CCCN1CCCCC1)C[C@@H](O)C1CC1	161465480	QARDEIISHNDYDO-CQSZACIVSA-N	240.391	1.565	70	20	BDID	
CC[C@@H](COC)N[C@@H](CCO)CSC	160387552	DDNHCAIRUGKFCB-UWVGGRQHSA-N	221.366	1.115	70	20	BDID	
C[C@@H](CO)SCc1nccn1C(F)F	160750292	UEALJYLQNBVOFV-LURJTMIESA-N	222.260	1.892	70	20	BDID	
COC(=O)CN1CCc2ccc(C)cc21	159816961	WLXGWBGKCBZBQG-UHFFFAOYSA-N	205.257	1.531	70	20	BDID	
CCN(C(=O)C1(NC(N)=O)CC1)c1ccccc1	159868748	QZLGSZMJLRBLJV-UHFFFAOYSA-N	247.298	1.240	70	20	BDID	
CNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159902968	COFZFWFVKKLPEY-UHFFFAOYSA-N	235.287	1.201	70	20	BDID	
CC(C)[C@H](CCO)NC(=O)NC1CCC1	218000142	LPPQWCHIWZFUJA-JTQLQIEISA-N	214.309	1.245	70	20	BDID	
CN(CCCN)Cc1cc(O)cc(F)c1	159745751	SMSOOUJMWRDOMD-UHFFFAOYSA-N	212.268	1.312	70	20	BDID	
CSC[C@@H](C)N[C@@H]1CCCOCC1	161452309	FPPKDYMHKMOIQH-NXEZZACHSA-N	203.351	1.897	70	20	BDID	
Nc1cc(NC[C@H]2CC=CCC2)ncn1	161041561	XUHOXUXMVQIUKU-VIFPVBQESA-N	204.277	1.827	70	20	BDID	
C[C@H](N)C(=O)N[C@@H](C)[C@@H](C)c1ccccc1	160889151	VMCVLWFZNCLSNO-VWYCJHECSA-N	220.316	1.642	70	20	BDID	
CCO[C@@H](CC)C(=O)N(C)Cc1cccn1C	160471388	BDWVIZCOVALRBZ-LBPRGKRZSA-N	238.331	1.799	70	20	BDID	
CCc1nc(CN(C)[C@H](C)c2cnn(C)c2)n[nH]1	160656465	YLLWDXHAROOYNY-SECBINFHSA-N	248.334	1.294	70	20	BDID	
CCCC1(CNC(=O)[C@@H]2CCCN2C)CC1	160657594	LQMYLRFVKIDCCY-NSHDSACASA-N	224.348	1.777	70	20	BDID	
C[C@H](CNC(=O)NC1(C)CCC1)N(C)C1CC1	160813043	AYVXLFVIAXKXOJ-SNVBAGLBSA-N	239.363	1.711	70	20	BDID	
O=C(NCc1ncccc1F)Nc1cccnc1	160822548	AEXXAMTYWOZUOU-UHFFFAOYSA-N	246.245	1.937	70	20	BDID	
CCc1nc(CN2CCOCC23CCC3)n[nH]1	159435664	NGLSQFZTKUFNGC-UHFFFAOYSA-N	236.319	1.122	70	20	BDID	
Cc1cc(N[C@H]2CCN(C(C)C)C2=O)nn1C	159571084	AVIVTGUAMMNTLM-JTQLQIEISA-N	236.319	1.150	70	20	BDID	
CCS[C@@H]1CCCCN(C(=O)[C@H](C)N)C1	159763942	ZYDIHBBCLBMWKD-VHSXEESVSA-N	230.377	1.468	70	20	BDID	
CCOc1ccc(S(=O)(=O)F)cc1F	105406177	TZPDYWQCWZXUAG-UHFFFAOYSA-N	222.212	1.883	70	20	BDID	
CC[C@H](N[C@H](CCO)CSC)C1CC1	160388357	UWJJUWOGLQOTJF-MNOVXSKESA-N	217.378	1.879	70	20	BDID	
COC(=O)C1=C(S(=O)(=O)Cl)CCC1	59213573	CGDFFJBTLSJOAL-UHFFFAOYSA-N	224.665	1.166	70	20	BDID	
CCOCC(=O)Nc1cc(C2CC2)nc(C)n1	160154245	KRAKQCKFGIFKHZ-UHFFFAOYSA-N	235.287	1.637	70	20	BDID	
CC[C@H](CSC)N[C@H]1CCC[C@@H](N)C1	217327760	CGJXJNQAQLNWOU-MXWKQRLJSA-N	216.394	1.988	70	20	BDID	
COCCN1CCC([C@H](O)C(F)(F)F)CC1	161214056	GDKQADOGTQMXQM-VIFPVBQESA-N	241.253	1.268	70	20	BDID	
CC(C)C[C@@H]1CCCN(C(=O)[C@H]2CCNC2)C1	161476357	HVWUPCPVSYFZIA-STQMWFEESA-N	238.375	1.881	70	20	BDID	
CC[C@H](C)c1cc(C(=O)NC2(CO)CC2)on1	160267258	CBDUVGLWGOJHSU-QMMMGPOBSA-N	238.287	1.443	70	20	BDID	
CC[C@@H](C)OCC(=O)NC[C@@H](OC)C(C)(C)C	159493580	NZYGXDNGBXTQTP-GHMZBOCLSA-N	245.363	1.979	70	20	BDID	
CCO[C@H](C)C(=O)NCC(N)(CC)CC	160534610	JDDQXIQWZAULLG-SECBINFHSA-N	216.325	1.045	70	20	BDID	
Cc1cccc(CS(=O)(=O)Cl)n1	117935522	XFOUSPOLWLHITM-UHFFFAOYSA-N	205.666	1.459	70	20	BDID	
CN[C@H]1CCN(C(=O)CCC(C)(C)C)C1	160807342	ZFZSIZBCWAVFAD-JTQLQIEISA-N	212.337	1.633	70	20	BDID	
CCc1nn(C)cc1CN[C@@H](C)CSC	161396635	MURBSJRSHNKNDF-VIFPVBQESA-N	227.377	1.824	70	20	BDID	
CSC[C@@](C)(O)CNc1nccc(C)n1	217512091	PKTOROJZCUIPFP-JTQLQIEISA-N	227.333	1.311	70	20	BDID	
C[C@@H](CC(N)=O)Nc1nc2ccccc2n1C	161086244	TVDWCZQIVUKHLX-QMMMGPOBSA-N	232.287	1.249	70	20	BDID	
Cc1nccn1CCS[C@@H](C)[C@H](C)O	217974858	NMZUTTLHWHYAOE-IUCAKERBSA-N	214.334	1.694	70	20	BDID	
O=C(CC1CCCC1)N1C[C@@H]2CCC[C@H](C1)N2	159872214	NTSQVZLDJLUWTO-BETUJISGSA-N	236.359	1.920	70	20	BDID	
Cc1nn(C)cc1CNC[C@H](C)C1CC1	160141998	XJQMWAUXZJORID-VIFPVBQESA-N	207.321	1.864	70	20	BDID	
CC[C@@H](C)OCC(=O)N(C)C[C@H]1CCOC1	161396345	GRVGLZARTDOAAM-GHMZBOCLSA-N	229.320	1.296	70	20	BDID	
COC[C@@H](NC(=O)Nc1ccc(C)nc1)C1CC1	161164242	LJRPSJOMHCYQIG-GFCCVEGCSA-N	249.314	1.937	70	20	BDID	
COc1ccc2c(c1)[C@@H](NCCO)CCCO2	159678620	IOTWGWHWNGEYBQ-LBPRGKRZSA-N	237.299	1.491	70	20	BDID	
O=C(c1ccc(F)cc1)N1C[C@@H]2CCC[C@H](C1)N2	159880228	IHFIHTVTIWAIAB-BETUJISGSA-N	248.301	1.792	70	20	BDID	
C[C@]1(O)CCCN(c2cc(Cl)nc(N)n2)C1	160848324	JNBLKGVLWBMQTF-JTQLQIEISA-N	242.710	1.063	70	20	BDID	
CC1=NN(C)C(=O)[C@@H]1C(=O)Nc1ccccc1C	160083446	XKSFLVRNWYXDPG-NSHDSACASA-N	245.282	1.398	70	20	BDID	
CC[C@]1(C)C[C@@H]1C(=O)NCC(=O)NC(C)(C)C	160158370	IZCUTXSCVIVFEI-NOZJJQNGSA-N	240.347	1.454	70	20	BDID	
CCc1ncc(C(=O)N2CCC[C@@H]2CN)s1	160256281	DFPSRWVQWRTYRL-MRVPVSSYSA-N	239.344	1.269	70	20	BDID	
CSCC[C@H](C)NC(=O)N[C@H]1CCOC1	159411860	BNFZPEJURIFBGY-IUCAKERBSA-N	232.349	1.216	70	20	BDID	
O=S(=O)(Cl)CCCOC1CCOCC1	112357028	SCUSTMPETSFDLN-UHFFFAOYSA-N	242.724	1.141	70	20	BDID	
C[C@H](CN)CNC(=O)C1[C@H]2CCCC[C@H]12	161455142	SJKGPGKKUZGINR-UTLUCORTSA-N	210.321	1.134	70	20	BDID	
CC(C)[C@H](O)CN[C@@H](C)c1ccncc1	161234506	DOSRMNSFKWEAIU-CMPLNLGQSA-N	208.305	1.749	70	20	BDID	
O=S(=O)(OC1CCCC1)C(F)(F)F	97950114	PZSMRYIWZCBSRQ-UHFFFAOYSA-N	218.196	1.795	70	20	BDID	
CC[C@H](CSC)NCc1cnccn1	217328557	LETSJXNYWJFKCR-SECBINFHSA-N	211.334	1.708	70	20	BDID	
CCCN(C(=O)C(=O)Nc1ccon1)C1CC1	160227153	YDYAFVHHCNHRDD-UHFFFAOYSA-N	237.259	1.014	70	20	BDID	
CC(C)OC(=O)CCN(C)C[C@H]1CCC[C@@H]1O	159838094	WHJVVNAXZKAUAU-NEPJUHHUSA-N	243.347	1.421	70	20	BDID	
Cc1cccc(C)c1C(=O)N[C@@H]1CCC[C@H]1O	161247241	IOFVGVNUBGGCIV-VXGBXAGGSA-N	233.311	1.947	70	20	BDID	
CCC[C@@H](O)CNCC1(O)CCCC1	217863887	MWJXKEYMVVETSA-SNVBAGLBSA-N	201.310	1.042	70	20	BDID	
C[C@@H]1C[C@@H]1CN[C@@H]1CCN2CCC[C@@H]2C1	159978036	KQNWNHQFQMWAFK-FDYHWXHSSA-N	208.349	1.859	70	20	BDID	
C[C@@H](CO)SCC(=O)Nc1ccccc1	160737037	IUNQKRHJAALFKE-VIFPVBQESA-N	225.313	1.739	70	20	BDID	
CC(C)NS(=O)(=O)N[C@@H]1CC[C@@H](C)C1	160464428	XBPKBTFRHPEIGW-RKDXNWHRSA-N	220.338	1.007	70	20	BDID	
CN[C@H]1CCN(C(=O)CCC2CCOCC2)C1	160807230	HFSJNPSSHALMRW-LBPRGKRZSA-N	240.347	1.014	70	20	BDID	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)Nc1nnc[nH]1	159813539	IMJYTVRZTPCLDH-ZCFIWIBFSA-N	248.290	1.277	70	20	BDID	
C[C@@]1(C(=O)NC2CCCC2)CCCCN1	159553135	HARPMWJYPSEYGX-LBPRGKRZSA-N	210.321	1.577	70	20	BDID	
CC1(C)C[C@H](Nc2ccnc(C(N)=O)c2)CCO1	159995336	RQLFJNAOQXDXPT-SNVBAGLBSA-N	249.314	1.550	70	20	BDID	
Cc1ccc(C(=O)N[C@@H]2CCC[C@H](N)C2)n1C	160904258	CSWAHUXQUXDDMQ-WDEREUQCSA-N	235.331	1.333	70	20	BDID	
O=S(=O)(F)c1c[nH]c(C(F)(F)F)c1	675064745	RXVLFINNMJCAPP-UHFFFAOYSA-N	217.143	1.692	70	20	BDID	
NC(=O)[C@H](NC1CC=CC1)c1ccccc1	160898569	PTZCDHUPALHMGV-GFCCVEGCSA-N	216.284	1.521	70	20	BDID	
COCCN1CCN(c2cc(C)ccn2)CC1	161216569	ICQIYJDTDPUHAV-UHFFFAOYSA-N	235.331	1.158	70	20	BDID	
C[C@H](c1cnn(C)c1)S(=O)(=O)Cl	88251415	QGQWRYAHHOFCKA-RXMQYKEDSA-N	208.670	1.050	70	20	BDID	
O=C(C/C=C/c1ccccc1F)NC1(CO)CC1	160255062	ZAPIWZUFIJOAIH-HWKANZROSA-N	249.285	1.870	70	20	BDID	
Cc1nc2n(n1)C[C@@H](N[C@@H](C)C1(C)CC1)CC2	160513133	HFXHGMWXPKHBRN-ONGXEEELSA-N	234.347	1.680	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)Cn1cccn1	159819820	UVBQDZUBKHTLSW-MNOVXSKESA-N	221.304	1.578	70	20	BDID	
C[C@H](C(=O)NCc1ncc[nH]1)c1cccs1	159864323	UZEZZQVAUJNBBH-QMMMGPOBSA-N	235.312	1.891	70	20	BDID	
CC[C@@H](NCC(N)=O)c1ccc(F)cc1F	160668639	TXWMFLPBRWXKLL-SNVBAGLBSA-N	228.242	1.491	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)CCC1CC1	160854013	AZNPJAVYTTWBGU-LLVKDONJSA-N	213.321	1.700	70	20	BDID	
CCc1nc(CN[C@H](CO)c2ccccc2)n[nH]1	160287802	OCYQKIYAJUGODN-LLVKDONJSA-N	246.314	1.190	70	20	BDID	
Cc1ccc(NC(=O)C[C@@H]2COC(=O)C2)c(O)c1	160345029	UTHFSSHGTGGDNP-VIFPVBQESA-N	249.266	1.592	70	20	BDID	
CC(C)[C@H](C)N(C)C(=O)N[C@H]1CCOC1	159543080	LJDCPXQZWARJGP-UWVGGRQHSA-N	214.309	1.461	70	20	BDID	
C[C@H](Cn1cccn1)NCC[C@@H]1CCCCO1	159523678	VUSACRLUMBWQCP-OLZOCXBDSA-N	237.347	1.820	70	20	BDID	
O=S(=O)(F)c1cnc(-c2ccccc2)nc1	675065549	KDMMJLIGUYLYTD-UHFFFAOYSA-N	238.243	1.802	70	20	BDID	
CS[C@@H](C)CNC(=O)c1ccc(F)nc1	159462533	DMROMNKNMLMHGO-ZETCQYMHSA-N	228.292	1.702	70	20	BDID	
CCc1ncnc(NC[C@@H]2COCCO2)c1F	217982434	NYZMUISQUPAJAT-MRVPVSSYSA-N	241.266	1.005	70	20	BDID	
C[C@@H](CC(N)=O)N[C@H](C)c1cscn1	161228410	QXAZRQIXNAEPJU-NKWVEPMBSA-N	213.306	1.058	70	20	BDID	
CS[C@H](C)CNC(=O)NC[C@H]1CCCN1C	159720192	OYKUUOKZUQOIAR-NXEZZACHSA-N	245.392	1.131	70	20	BDID	
C[C@H](Cc1ccccc1F)C(=O)NCCCN	160151953	GLJVJSFSOWAASY-SNVBAGLBSA-N	238.306	1.469	70	20	BDID	
Cc1nc(NC(=O)[C@@H]2CCOC2)cc(C2CC2)n1	160182185	QVMJEBRMFYYRMY-SNVBAGLBSA-N	247.298	1.637	70	20	BDID	
O=C(NCC1(C2CC2)CC1)[C@H]1CCOC1	160199484	PDGXMCUINUAMQK-VIFPVBQESA-N	209.289	1.329	70	20	BDID	
O=C(OCc1cccnc1)[C@@H]1CCCCO1	159467513	WQSLONDHPDAFFI-NSHDSACASA-N	221.256	1.694	70	20	BDID	
O=C(NC[C@H]1Cc2ccccc21)N[C@@H]1CCOC1	159382868	QJMZRYMNZYJPFQ-VXGBXAGGSA-N	246.310	1.414	70	20	BDID	
O=S(=O)(F)c1c[nH]c2ncccc12	238853010	HVFVDHXQJHFDEY-UHFFFAOYSA-N	200.194	1.221	70	20	BDID	
CC[C@@](C)(O)CNC1CCC(NC(C)=O)CC1	161253933	GTTJJVFBKUVMHW-WXRRBKDZSA-N	242.363	1.184	70	20	BDID	
CCN(CC)S(=O)(=O)NCC1(C2CC2)CC1	160139960	SUCFRBDMZOKFLX-UHFFFAOYSA-N	246.376	1.353	70	20	BDID	
Cc1cc(C)nc(N[C@H](C)[C@H]2CCOC2)n1	160430725	OMMYGQDBRFDCHP-MNOVXSKESA-N	221.304	1.930	70	20	BDID	
COCC1=NN(c2cccc(OC)c2)C(=O)C1	160981245	PSRBHDSKKXBJKA-UHFFFAOYSA-N	234.255	1.434	70	20	BDID	
CC(=O)NC1CCN(CCOCC2CC2)CC1	159869190	MYJGQAQXQRLSFH-UHFFFAOYSA-N	240.347	1.014	70	20	BDID	
CC1(NC(=O)c2ccsc2)CCNCC1	160577500	WFOKVEQLEHJSCW-UHFFFAOYSA-N	224.329	1.620	70	20	BDID	
c1nc2c(n1C[C@@H]1CCCO1)CCCC2	160719747	QQCKWPDGFZSBTJ-JTQLQIEISA-N	206.289	1.941	70	20	BDID	
CNC(=O)C(C)(C)CNc1nc(C(C)C)no1	161106503	UUOXNHYHVIMYCV-UHFFFAOYSA-N	240.307	1.377	70	20	BDID	
CC(C)Cn1ncnc1CS[C@@H](C)CO	161212537	YTRLKPKSRRGGGU-VIFPVBQESA-N	229.349	1.548	70	20	BDID	
CNC[C@H]1CCCN1C(=O)c1[nH]c(C)cc1C	161294860	LTPORMBKZLVFAN-LLVKDONJSA-N	235.331	1.456	70	20	BDID	
CC1=CCN(C(=O)c2ccc(=O)[nH]c2)CC1	160172364	GAIKMBIVPQHQLC-UHFFFAOYSA-N	218.256	1.167	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)CS(=O)(=O)CC	159682343	JPKWGTZXCBXGRC-UWVGGRQHSA-N	247.360	1.116	70	20	BDID	
O=C(CC1CCC1)N[C@@H]1CCC[C@@H]1CO	218000904	JJFXKCYQJUSMFL-GHMZBOCLSA-N	211.305	1.454	70	20	BDID	
CC(C)(O)CNC(=O)c1cccc2[nH]cnc12	159752395	KUAFUWBJZBJPBA-UHFFFAOYSA-N	233.271	1.064	70	20	BDID	
NC[C@H]1CCC[C@H]1NCc1ccc(Cl)nc1	216715083	GUHNBXGHKHHQCL-GHMZBOCLSA-N	239.750	1.952	70	20	BDID	
CSC[C@H](CCO)N[C@H](C)[C@H]1CCOC1	160200434	YOFORSLRAHNDCZ-VWYCJHECSA-N	233.377	1.115	70	20	BDID	
Cc1cnccc1CNC1CCNCC1	160595869	ZBOSOCIQQWPXPC-UHFFFAOYSA-N	205.305	1.232	70	20	BDID	
CNCCNCc1ccc(Br)cn1	161245835	SGUAAMQWZPDLOV-UHFFFAOYSA-N	244.136	1.153	70	20	BDID	
CC[C@@H](CCO)N[C@H]1CCCOCC1	161456080	OGGCNUBEOGRMSU-QWRGUYRKSA-N	201.310	1.306	70	20	BDID	
CC[C@@H](CC(=O)NCC[C@@H](O)COC)C(C)C	161100087	VWMLYIKAQGYYTM-NWDGAFQWSA-N	245.363	1.572	70	20	BDID	
CCC[C@H](O)CN[C@H](C)c1cscn1	161195839	QUUZGBFQRFLOCI-BDAKNGLRSA-N	214.334	1.955	70	20	BDID	
CS[C@@H](C)C(=O)N[C@@H](C)Cc1cc(C)[nH]n1	161507254	AYPZCOHXJQPJDF-CBAPKCEASA-N	241.360	1.517	70	20	BDID	
CC(=O)c1ccc(C(=O)NC[C@@H](O)C(C)C)cc1	159699934	AJGZKGZHOUKTON-CYBMUJFWSA-N	249.310	1.636	70	20	BDID	
CN(CCCN1CCCC1)C[C@H]1CCCCO1	161449103	AUFGGUQDFAJHDP-CQSZACIVSA-N	240.391	1.973	70	20	BDID	
CC(C)OC(=O)c1ccc(S(=O)(=O)F)cc1	490536375	KBMKRUSNJPUPQS-UHFFFAOYSA-N	246.259	1.910	70	20	BDID	
CCN(CC)C(=O)N(C)[C@H]1CCSC1	159430200	IKSNVBQFTCSXIT-VIFPVBQESA-N	216.350	1.886	70	20	BDID	
Cc1nc(C)c(-c2nc(-c3nnc[nH]3)no2)o1	159679681	XHJUPQJNGKAEEO-UHFFFAOYSA-N	232.203	1.127	70	20	BDID	
O=S(=O)(Cl)c1ccc2ncoc2c1	105538562	DJUJCYDIJTVPHD-UHFFFAOYSA-N	217.633	1.755	70	20	BDID	
CN(Cc1cccn1C)C(=O)CC1CC1	160867294	IGAIJGIQUVZTRQ-UHFFFAOYSA-N	206.289	1.784	70	20	BDID	
CS[C@@H](C)CC(=O)NCc1cnn(C)c1	160898224	BPRKYDCJJKZGKI-QMMMGPOBSA-N	227.333	1.178	70	20	BDID	
O=C1CNC(=O)N1c1cc(F)cc(Cl)c1	218417677	TXYZEFSSJGATKH-UHFFFAOYSA-N	228.610	1.535	70	20	BDID	
CCC[C@@H](C(=O)NCC[C@H](C)O)C(C)C	159547648	NXRMTDHYINIXPG-WDEREUQCSA-N	215.337	1.946	70	20	BDID	
CCCCNC(=S)N[C@]1(C)CCOC1	160040184	BVXNJZWCIDLJHG-SNVBAGLBSA-N	216.350	1.430	70	20	BDID	
CCN(CCOCC1CC1)Cc1cnn(C)c1	160096139	CFVCRZHILUYXFL-UHFFFAOYSA-N	237.347	1.669	70	20	BDID	
CSC(C)(C)CNCc1cn(C)nc1C	160161370	LXHBABLYSFPROJ-UHFFFAOYSA-N	227.377	1.960	70	20	BDID	
CC(C)CCCNCCNC(=O)C1CC1	160537645	OKKNNSWCRRTFEI-UHFFFAOYSA-N	212.337	1.538	70	20	BDID	
CC[C@@H](CO)N[C@H](C)c1cscn1	161133035	KUUNLJTYUBITKI-SFYZADRCSA-N	200.307	1.565	70	20	BDID	
CC(C)CNC(=O)NCCc1ccc(O)cc1	217269390	GDNUKAMTFDOTOX-UHFFFAOYSA-N	236.315	1.890	70	20	BDID	
Fc1ccc(CN2CCC3(C2)OCCO3)cc1	160619551	UWZOUOBGGGIYGO-UHFFFAOYSA-N	237.274	1.775	70	20	BDID	
CSCC[C@@H](C)NC(=O)N[C@@H]1CCOC1	159411750	BNFZPEJURIFBGY-RKDXNWHRSA-N	232.349	1.216	70	20	BDID	
O=C(N[C@@H]1CCOC1)N1C[C@H]2CCC[C@H]2C1	159445122	GJHUJYWGCOVHFC-OUAUKWLOSA-N	224.304	1.217	70	20	BDID	
CC(C)(C)CNC(=O)N[C@H]1CCOC1	159392090	GOXAEWAOOUURDY-QMMMGPOBSA-N	200.282	1.121	70	20	BDID	
CSCCCCC(=O)N1CCC[C@@H](O)C1	159593499	ABCJZCGHYSLQJG-SNVBAGLBSA-N	231.361	1.503	70	20	BDID	
CS[C@@H](C)CNC(=O)CNCC(F)(F)F	159467285	SRYVVQMUWYXEIW-LURJTMIESA-N	244.282	1.006	70	20	BDID	
CC(C)S(=O)(=O)CCCN1CCC[C@H](C)C1	160470612	GHOBBGFYRVWHTD-LBPRGKRZSA-N	247.404	1.932	70	20	BDID	
C[C@@]1(O)CCCN(C(=O)NC2CCC2)C1	160897232	IXEWUEMOFBZYIK-LLVKDONJSA-N	212.293	1.095	70	20	BDID	
CSC[C@H](C)C(=O)Nc1c[nH]c(=O)c(C)c1	159560826	IYOZTUYNZTVWPQ-QMMMGPOBSA-N	240.328	1.621	70	20	BDID	
CC1(NC(=O)c2cc(F)ccc2O)CC1	161306220	FCNXYKPKWWRHFU-UHFFFAOYSA-N	209.220	1.814	70	20	BDID	
Cc1ccsc1C(=O)NC[C@@H](N)C1CC1	160129886	CIOJXBQPMCHLLI-SECBINFHSA-N	224.329	1.524	70	20	BDID	
C[C@@H](CO)SCc1nnc(C(C)(C)C)o1	160713436	DOOHPXLLKRMRIZ-ZETCQYMHSA-N	230.333	1.981	70	20	BDID	
CCn1cnnc1CNC(=O)C[C@H](C)SC	159410738	DQUOBCIDXZNIEK-QMMMGPOBSA-N	242.348	1.056	70	20	BDID	
CC[C@H](C)NC(=O)CS[C@@H](C)CO	160779244	WFLRSAJLHMKYKL-YUMQZZPRSA-N	205.323	1.015	70	20	BDID	
CCCOC(=O)c1cccc(S(=O)(=O)F)c1	1334331310	SARQFKVBEVGEGY-UHFFFAOYSA-N	246.259	1.912	70	20	BDID	
CN(Cc1cccn1C)C(=O)[C@@H]1CCCS1	160735459	LKBMFRLRRDBZGS-NSHDSACASA-N	238.356	1.879	70	20	BDID	
CO[C@@H]1CCCN(C(=O)NC2CCC2)C1	217939919	ACUJREJZAMTBGV-SNVBAGLBSA-N	212.293	1.359	70	20	BDID	
NC(=O)[C@@H]1CCCN1CC1CCCCCC1	160364113	VUTSKZSCHNFTFK-LBPRGKRZSA-N	224.348	1.907	70	20	BDID	
COC(=O)[C@H](C)CSCc1ccnn1C	161385851	SEDOIADSGVJADU-MRVPVSSYSA-N	228.317	1.462	70	20	BDID	
COC[C@H](NCCC(C)(C)O)C1CC1	159612275	NUKNAFQKOREWOE-JTQLQIEISA-N	201.310	1.162	70	20	BDID	
O=C(NCCc1cccnc1)[C@@H]1CCCCO1	161473599	GHBIVXMYOFXOIU-LBPRGKRZSA-N	234.299	1.309	70	20	BDID	
CCCCN(C)C(=O)N[C@H]1CCOC1	159442922	GLRTXQVBDDYGBA-VIFPVBQESA-N	200.282	1.217	70	20	BDID	
CCC[C@@H](O)CNc1nccnc1Cl	218144494	VCQUHCOVDVNEIG-SSDOTTSWSA-N	215.684	1.703	70	20	BDID	
Cc1c(CNC2CCSCC2)cnn1C	160143657	HJZPSVGRLDYIHL-UHFFFAOYSA-N	225.361	1.714	70	20	BDID	
C[C@@H](NCC1(O)CCC1)c1cscn1	161194192	LHTAFLGPAWHCTI-MRVPVSSYSA-N	212.318	1.709	70	20	BDID	
N[C@H]1CCC[C@@H](NC(=O)C2CCCC2)C1	161395941	XPGAAYDDLOIKAG-WDEREUQCSA-N	210.321	1.563	70	20	BDID	
COCCC1(C(=O)NCC(C)(C)N)CCC1	160076353	CGQBECONCBXLNB-UHFFFAOYSA-N	228.336	1.047	70	20	BDID	
CC(C)(N)CNC(=O)C[C@H]1CCc2ccccc21	160098005	OCCZZHQFQICRLM-GFCCVEGCSA-N	246.354	1.960	70	20	BDID	
CCc1ccccc1NC(=O)NC1(CO)CC1	160104124	KLSLWGVJNWQLCF-UHFFFAOYSA-N	234.299	1.895	70	20	BDID	
CN[C@H]1CCN(C(=O)CSC(F)(F)F)C1	160526049	OAXUQZWCGAIMKY-LURJTMIESA-N	242.266	1.060	70	20	BDID	
CCC1CCN(C(=O)N[C@H]2CCOC2)CC1	159459595	RNKHPXMBWFIHHK-NSHDSACASA-N	226.320	1.607	70	20	BDID	
Cc1nccn1CCS[C@H](C)[C@@H](C)O	217974775	NMZUTTLHWHYAOE-RKDXNWHRSA-N	214.334	1.694	70	20	BDID	
NCCCNC(=O)c1csc2c1CCCC2	160071454	SXUDZHDPAKFYBP-UHFFFAOYSA-N	238.356	1.706	70	20	BDID	
Cc1cccc(C)c1OCC(=O)N1CC[C@@H](N)C1	160315917	JRWLNJAAQQINAH-GFCCVEGCSA-N	248.326	1.242	70	20	BDID	
CCCSCC(=O)N1CCC[C@H]1CNC	161242983	LAHSNSDADNYMKR-JTQLQIEISA-N	230.377	1.340	70	20	BDID	
CC(C)(C)OCCOCCS(=O)(=O)Cl	108304167	LJCUXGIEFWKDIA-UHFFFAOYSA-N	244.740	1.387	70	20	BDID	
CCCc1cc(C(=O)NC[C@H]2CCOC2)no1	218586249	XGOYROJGGRVJTR-SECBINFHSA-N	238.287	1.393	70	20	BDID	
COC[C@@H](C)NC(=S)N(C)[C@H]1CCSC1	160047477	DLBIIAUFSUPBRU-BDAKNGLRSA-N	248.417	1.333	70	20	BDID	
CCCCCC(=O)N[C@@H]1CCC[C@@H](N)C1	161394554	IJNSHAZLQTZAEH-GHMZBOCLSA-N	212.337	1.953	70	20	BDID	
C[C@H]1CCCC[C@H]1N(C)C(=O)[C@H](C)CN	218383045	LYMBYMLSHQMMJF-HBNTYKKESA-N	212.337	1.618	70	20	BDID	
CS[C@H](C)CC(=O)NC[C@H](C1CC1)N(C)C	160449461	HEKFTPYMTKUUAI-MWLCHTKSSA-N	244.404	1.584	70	20	BDID	
CSC(C)(C)CNC(=O)N[C@H]1CCOC1	159418649	CAIHGANHFJUCSP-QMMMGPOBSA-N	232.349	1.216	70	20	BDID	
N[C@@H]1CCC[C@@H](NC(=O)CCc2ccccn2)C1	160996671	IYWVCNBLGIPULV-DGCLKSJQSA-N	247.342	1.400	70	20	BDID	
CC1CCN(C(=O)N[C@H]2CCOC2)CC1	159555421	UAHJFPXPVRKCTL-JTQLQIEISA-N	212.293	1.217	70	20	BDID	
COCC[C@@H](C)NCc1ccncc1C	160596955	QMPDZGDUHJJCDZ-LLVKDONJSA-N	208.305	1.905	70	20	BDID	
O=C(NCCO)c1ncoc1-c1ccccc1	159461074	QYNANPWZBAFXPC-UHFFFAOYSA-N	232.239	1.064	70	20	BDID	
CC(C)[C@@H]1CN(S(=O)(=O)Cl)CCCO1	306782464	KDFKJPJWPOSJOS-QMMMGPOBSA-N	241.740	1.217	70	20	BDID	
Cc1cc(S(=O)(=O)F)cc([N+](=O)[O-])c1F	238854417	NOLQEXSVCXUVCK-UHFFFAOYSA-N	237.183	1.701	70	20	BDID	
C[C@H]1CCN(S(=O)(=O)Cl)C[C@@H]1C	135266037	FPNGBLICUGPTMO-BQBZGAKWSA-N	211.714	1.448	70	20	BDID	
CCOc1cccc(C(=O)N(C)[C@@H](C)CO)c1	160378821	UUGIQSXNMPJVDR-JTQLQIEISA-N	237.299	1.538	70	20	BDID	
CC(C)NC1CCN(CCOCC2CC2)CC1	160496695	RFHUODBUDCIFOX-UHFFFAOYSA-N	240.391	1.875	70	20	BDID	
CC[C@H]1CCN(C(=O)N[C@H]2CCOC2)C1	159433531	DBIHIOZADHJPRN-UWVGGRQHSA-N	212.293	1.217	70	20	BDID	
C[C@@H](CNc1cc(F)ncn1)N(C)C1CC1	218696896	OIFXTXVPMPSHFS-QMMMGPOBSA-N	224.283	1.510	70	20	BDID	
Cn1ccc(C(=O)NCc2ccc(O)cc2)n1	218196860	PBKKHKRWNVMYTC-UHFFFAOYSA-N	231.255	1.056	70	20	BDID	
CC(C)[C@H](O)CN[C@H](C)c1cscn1	161201608	FSEKWBUFJIBTAJ-PSASIEDQSA-N	214.334	1.811	70	20	BDID	
C[C@]1(Nc2ccc3nccnc3n2)CCOC1	160003076	KNTACRRHPYBQCX-LBPRGKRZSA-N	230.271	1.616	70	20	BDID	
CS[C@@H](C)CNC(=O)NC[C@@H]1CCCS1	160179008	KZDCFINKOXUAIJ-IUCAKERBSA-N	248.417	1.933	70	20	BDID	
COC(=O)CN1CCC[C@@H]1c1cccc(C)n1	160195072	WLLWDPDUWDZJBJ-GFCCVEGCSA-N	234.299	1.700	70	20	BDID	
CN[C@H]1CCN(C(=O)[C@@H](C)c2cccc(C)c2)C1	160495358	VEFHIMHMUQLXAQ-JSGCOSHPSA-N	246.354	1.919	70	20	BDID	
O=C(Nc1cccnc1)[C@@H]1CCCCO1	160598254	YNHOLSDHAIIHHC-JTQLQIEISA-N	206.245	1.589	70	20	BDID	
CN(C(=O)N[C@@H]1CCN(CC2CC2)C1)C1CC1	160730054	UQPBUXGDSKBESK-LLVKDONJSA-N	237.347	1.275	70	20	BDID	
C[C@H](NCCO)c1ccc(N2CCCC2=O)cc1	159712715	WXDMRZQDYRWEJE-NSHDSACASA-N	248.326	1.456	70	20	BDID	
CCCS(=O)(=O)CCSC[C@H](C)CO	217974298	ALPUPZQEKDEESR-SECBINFHSA-N	240.390	1.173	70	20	BDID	
C[C@H]1Cc2ccc(F)cc2[C@H]1NCCO	159725477	LEKXNXLUIRXSOG-UFBFGSQYSA-N	209.264	1.641	70	20	BDID	
CCCC[C@H](C(=O)OC)N1CC[C@H](CO)C1	160803812	UHXZWZQAONGDGV-WDEREUQCSA-N	229.320	1.032	70	20	BDID	
CCOC(=O)CN(C)[C@H](C)c1cccnc1	159533671	YTHZEGPNQCRLLG-SNVBAGLBSA-N	222.288	1.638	70	20	BDID	
COc1ccccc1C[C@@H](C)NC[C@H](C)N	218300804	UDXOIFGYNFHNMC-WDEREUQCSA-N	222.332	1.563	70	20	BDID	
CS[C@H](C)CC(=O)NCCCC(=O)N(C)C	161025871	HPLGDMJEEUPQOM-SECBINFHSA-N	246.376	1.113	70	20	BDID	
Cc1ccc(S(=O)(=O)NCC(C)(C)N)s1	160142098	LKBJMDGSHKHIIN-UHFFFAOYSA-N	248.373	1.072	70	20	BDID	
C[C@H](CO)SCC(=O)NCc1ccco1	160767781	HYGQDPTVPXCFBZ-MRVPVSSYSA-N	229.301	1.010	70	20	BDID	
CC[C@@H](NC(=O)[C@@H](C)OC)c1c(C)noc1C	160698542	GDADHFDVMHYZNK-NXEZZACHSA-N	240.303	1.894	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)CS(=O)(=O)CC	159682205	JPKWGTZXCBXGRC-ZJUUUORDSA-N	247.360	1.116	70	20	BDID	
CCC1(CNC(=O)[C@@H]2CCCN2)CCC1	159634368	VYKDVULDTQVEAJ-JTQLQIEISA-N	210.321	1.435	70	20	BDID	
CC(C)NC(=O)NC[C@@]1(C)CCCNC1	159987753	UOQAEKOAJZGRBM-NSHDSACASA-N	213.325	1.084	70	20	BDID	
COC[C@H](N[C@@H](CCO)CSC)C(C)C	160341238	FIDKWPIJWFLOGN-QWRGUYRKSA-N	235.393	1.361	70	20	BDID	
COCCC1(C(=O)N[C@@H](CO)CC(C)C)CC1	160706950	LPABHHGRAJNAGL-LLVKDONJSA-N	243.347	1.326	70	20	BDID	
COCCNC(=S)N1CC[C@H](C)[C@H](C)C1	160870923	CHUBTBFYQWYKQL-VHSXEESVSA-N	230.377	1.485	70	20	BDID	
CC(=O)c1cnc(NC(=O)[C@@H](N)C(C)C)s1	161087447	LQLXETMCNXSVPI-QMMMGPOBSA-N	241.316	1.268	70	20	BDID	
CC(C)n1cc2cc(NC(=O)[C@H](C)N)ccc2n1	160068223	KBZPSYZKGOUNRA-VIFPVBQESA-N	246.314	1.903	70	20	BDID	
C[C@H](N)C(=O)N1CCO[C@](C)(c2ccccc2)C1	159645309	QXPJIXXKEQZAQL-FZMZJTMJSA-N	248.326	1.108	70	20	BDID	
CN(C)C(=O)CN1CC[C@@H]2CCCC[C@@H]21	159661224	RWCSWMCQTGPPOK-QWRGUYRKSA-N	210.321	1.339	70	20	BDID	
Cc1cc(F)ccc1C(=O)N[C@@H]1CCC[C@H]1O	159451469	OUXAHJDBEIJHRK-VXGBXAGGSA-N	237.274	1.777	70	20	BDID	
CCN1CCN(C(=O)N2CCCCCC2)CC1	160304323	XXBQIZHLBUKDFF-UHFFFAOYSA-N	239.363	1.620	70	20	BDID	
COCCN(CC(C)C)c1ccnc(C)n1	160912696	UBRARHMVWPGLMC-UHFFFAOYSA-N	223.320	1.894	70	20	BDID	
Cc1cc(NC(=O)c2cccnc2)c[nH]c1=O	159399255	OWKQUTBVQQLURS-UHFFFAOYSA-N	229.239	1.331	70	20	BDID	
C[C@@H](NS(=O)(=O)C1CC1)c1cccc(O)c1	160127932	UNEPNKQGYAUEPZ-MRVPVSSYSA-N	241.312	1.535	70	20	BDID	
c1cnc(N[C@@H]2CCO[C@@H](C3CC3)C2)cn1	160288958	BHNUSXQQYKBCFT-GHMZBOCLSA-N	219.288	1.846	70	20	BDID	
CCCN1CCCN(C(=O)C2CCC2)CC1	160383421	FKYZBYIQFGLWKS-UHFFFAOYSA-N	224.348	1.731	70	20	BDID	
CCOC(=O)CNC(=O)[C@@H]1CCC[C@H](C)C1	161060676	XPIGUOLKCIAZLW-VHSXEESVSA-N	227.304	1.492	70	20	BDID	
C[C@H](N)C(=O)N[C@H](C)CCC(C)(C)C	161228939	RMEFQVHMVTVQOJ-BDAKNGLRSA-N	200.326	1.665	70	20	BDID	
CC(C)(O)Cn1ccc2occc2c1=O	161400768	HKRAYVUVIAOVCK-UHFFFAOYSA-N	207.229	1.365	70	20	BDID	
CCc1nc(CN2CC[C@@H](C)[C@H](C)C2)n[nH]1	160194665	MYOABVXXWRHDPR-NXEZZACHSA-N	222.336	1.845	70	20	BDID	
Cc1ccc(CC(=O)NCC(C)(C)N)s1	159965068	QUMWQSFIBMCKEB-UHFFFAOYSA-N	226.345	1.453	70	20	BDID	
C[C@H](O)C[C@@H](C)CNC(=O)C1(CN)CCCC1	160569101	DWYFOLGPCHDSCT-MNOVXSKESA-N	242.363	1.029	70	20	BDID	
COCC[C@H](C)N1CC[C@H](CCN)C1	160050250	XEADQZCNKMFPGT-QWRGUYRKSA-N	200.326	1.082	70	20	BDID	
CCCC[C@@H](C(=O)OC)N1CC[C@H](CO)C1	160803683	UHXZWZQAONGDGV-QWRGUYRKSA-N	229.320	1.032	70	20	BDID	
C[C@]1(O)CCCN(CC2CCOCC2)C1	160986133	CFXCKAXAPWGVEQ-LBPRGKRZSA-N	213.321	1.260	70	20	BDID	
O=S(=O)(Cl)CCC(F)(F)C1CC1	258495807	NZBCZJYTBZESQD-UHFFFAOYSA-N	218.652	1.990	70	20	BDID	
Cc1cc(C[C@H](C)NC(=O)C(C)C)n[nH]1	161198281	JBIHHFDTWOQSFO-QMMMGPOBSA-N	209.293	1.421	70	20	BDID	
CN[C@@H]1CCN(C(=O)c2cccc3c2CCC3)C1	160488341	DYUAOZRFLNOSSD-GFCCVEGCSA-N	244.338	1.609	70	20	BDID	
C[C@H](C(=O)N1CCC[C@@H]1CN)c1cccs1	160217958	KQENKBFPZBAIQM-VHSXEESVSA-N	238.356	1.801	70	20	BDID	
CC[C@@H](C)N(C)CCNC(=O)NC1(C)CCC1	160581884	RUOWBMADLOOTKU-LLVKDONJSA-N	241.379	1.959	70	20	BDID	
C[C@H]1CCN(C(=O)Nc2ccn(C)n2)C[C@@H]1C	160756798	BZEVOYDKRVKMNW-UWVGGRQHSA-N	236.319	1.930	70	20	BDID	
CCc1nc(CN(C)[C@@H](C)c2cccnc2)n[nH]1	159615008	BBRNCYADBIEJHH-JTQLQIEISA-N	245.330	1.955	70	20	BDID	
Cc1cc(NC(=O)NCc2cccnc2)nn1C	159632952	AXAADTSNICWZIA-UHFFFAOYSA-N	245.286	1.445	70	20	BDID	
C[C@@H]1CC(=O)CC[C@H]1C(=O)Nc1cnn(C)c1	159893536	OMQAJHFZEBQESD-LDYMZIIASA-N	235.287	1.364	70	20	BDID	
CC1CCN(CCCCS(C)(=O)=O)CC1	161092204	VNFMRVZSXMBYIB-UHFFFAOYSA-N	233.377	1.543	70	20	BDID	
COC(C)(C)C(=O)N1CC[C@H]2CC[C@@H](C1)N2C	217723947	DXLWTMALUFKTIF-MNOVXSKESA-N	240.347	1.107	70	20	BDID	
N[C@@H]1CCC[C@H](NC(=O)C2CCCCC2)C1	160987341	LSEXTZHOVWATLS-NEPJUHHUSA-N	224.348	1.953	70	20	BDID	
CCCNC(=S)N(C)CCOCC	161486177	GVLJMLDAMUDMFI-UHFFFAOYSA-N	204.339	1.239	70	20	BDID	
CCSCC[C@H](C)NC(=O)N[C@H]1CCOC1	159417536	XZTMYVWHACCLIJ-UWVGGRQHSA-N	246.376	1.606	70	20	BDID	
NC(=O)CC1CCN(Cc2ccco2)CC1	159811411	DTAYCQLLOBNLHM-UHFFFAOYSA-N	222.288	1.367	70	20	BDID	
CC(C)(CO)CCCNC(=O)[C@@H]1CCCCO1	160767956	VPUQMHQGCOEEIY-NSHDSACASA-N	243.347	1.470	70	20	BDID	
Cc1ccccc1Cn1cccnc1=O	160190930	FIKRVLCEFMQLAL-UHFFFAOYSA-N	200.241	1.600	70	20	BDID	
Cc1cc(CN2CCC[C@](C)(O)C2)on1	160998050	DUEBZNRPVGHRAV-NSHDSACASA-N	210.277	1.330	70	20	BDID	
CC[C@H](CCO)N[C@H](C)c1cscn1	161208881	PUJLESAMQLLVNF-RKDXNWHRSA-N	214.334	1.955	70	20	BDID	
CC[C@H](CCO)N[C@@H]1CS[C@@H](C)C1	217691168	ISYBGEJSHQKWJB-AEJSXWLSSA-N	203.351	1.631	70	20	BDID	
COc1cc(F)ccc1S(=O)(=O)F	238357199	KPBUPFYCTADHKA-UHFFFAOYSA-N	208.185	1.493	70	20	BDID	
Cc1ccc([C@@H](C)CNC(=O)[C@@H]2CCCN2)cc1	161169915	CEDHUJVSIXLBEU-JSGCOSHPSA-N	246.354	1.967	70	20	BDID	
CC[C@H](C)OCC(=O)NC[C@@H]1CCN(CC)C1	160122391	GBAPSNYEUWZZRF-RYUDHWBXSA-N	242.363	1.260	70	20	BDID	
C[C@@H]1CC(NC(=O)NCC(F)F)C[C@@H](C)O1	159609589	JHFDOXSQTQKJFM-RNFRBKRXSA-N	236.262	1.507	70	20	BDID	
CCSCCN1CCC[C@@H]1C[C@@H](C)O	159373849	KEOPQWDENCCJFU-GHMZBOCLSA-N	217.378	1.975	70	20	BDID	
C[C@@H](CCO)NCc1occc1Br	217820178	PZXIKHATXDHKEI-ZETCQYMHSA-N	248.120	1.903	70	20	BDID	
CN(Cc1ccsc1)C(=O)C(F)F	218688824	MZXYUQBGDMEALT-UHFFFAOYSA-N	205.229	1.972	70	20	BDID	
O=S(=O)(Cl)Cc1ccnc(Cl)n1	306378479	NUJDVEALJRXURJ-UHFFFAOYSA-N	227.072	1.199	70	20	BDID	
CC(C)c1noc(CS(=O)(=O)Cl)n1	157447828	BPTYRTUZADTGIA-UHFFFAOYSA-N	224.669	1.262	70	20	BDID	
CCn1c(C)cc(C(=O)NCC(C)(C)N)c1C	160034796	JPSCZDZRKFQNJS-UHFFFAOYSA-N	237.347	1.592	70	20	BDID	
CCN(CC)CCNc1ncccc1OC	160193681	REWSQVMZHOWPGE-UHFFFAOYSA-N	223.320	1.844	70	20	BDID	
Cc1cc(NC(=O)[C@H]2CCCCO2)c[nH]c1=O	159490984	YDXFQFKXIVFWQQ-SNVBAGLBSA-N	236.271	1.191	70	20	BDID	
C[C@@]1(CNC(=O)C2CCC2)CCCNC1	159958619	XXGLOXMZLLZJQF-GFCCVEGCSA-N	210.321	1.292	70	20	BDID	
O=C(N[C@@H]1CCC[C@@H]1CO)[C@@H]1CCSC1	218057816	XGMWZMKQKMSOGG-OPRDCNLKSA-N	229.345	1.017	70	20	BDID	
NC(=O)c1ccc(NC(=O)[C@H]2CCCCO2)cc1	159375249	FNMLETCUCMJKLT-LLVKDONJSA-N	248.282	1.293	70	20	BDID	
Cc1cnc(N[C@H](C)[C@@H]2CCOC2)nc1	160430993	VHFUHQREOIQUKX-NXEZZACHSA-N	207.277	1.622	70	20	BDID	
Cn1cnnc1CN1CC[C@H](c2ccccc2)C1	160875143	MFVJRSSGIOXWPO-ZDUSSCGKSA-N	242.326	1.805	70	20	BDID	
Cc1ccnc(N[C@@H](CO)CC(C)(C)C)n1	161422693	JNBIFTIILCGDQC-SNVBAGLBSA-N	223.320	1.994	70	20	BDID	
CCc1ccccc1C(=O)N(C)CC(=O)N(C)C	161253504	SAAVDXMTZHMPDD-UHFFFAOYSA-N	248.326	1.409	70	20	BDID	
CS[C@@H](C)CC(=O)Nc1cc(C)nn1C	160255689	IDMYQERAXKOLRM-QMMMGPOBSA-N	227.333	1.809	70	20	BDID	
C[C@@H]1CC[C@H](C(=O)NCCc2cccc(O)c2)O1	159673809	CPTCCLXKCFKJAI-ZWNOBZJWSA-N	249.310	1.618	70	20	BDID	
CCOC(C)(C)CNc1nc2ccccn2n1	159535198	APSCJKWBBXLXPQ-UHFFFAOYSA-N	234.303	1.956	70	20	BDID	
CCOCCCN1CCC[C@@H](NC(=O)CC)C1	159943665	FHVGPFQULJTVBP-GFCCVEGCSA-N	242.363	1.404	70	20	BDID	
Cc1ccsc1CN1CCO[C@@H](CN)C1	159504934	YCHKQPOXCSWRDM-JTQLQIEISA-N	226.345	1.216	70	20	BDID	
CCCC(=O)N[C@H]1CCC[C@H]1NC(=O)CCC	217802357	DGLFBBQNJNFSRT-PHIMTYICSA-N	240.347	1.740	70	20	BDID	
COCC(=O)N1CCc2c(F)cccc2C1	160827533	DSXVLRQWCPQHEY-UHFFFAOYSA-N	223.247	1.357	70	20	BDID	
C[C@@H](NCc1ccon1)c1cscn1	161218117	KRPYHOVWXTUXHR-SSDOTTSWSA-N	209.274	1.982	70	20	BDID	
CCCNC(=O)CNc1ncnc(CC)c1F	217959335	IOLHJOMNDYMUHG-UHFFFAOYSA-N	240.282	1.116	70	20	BDID	
Cc1cc(C(=O)N2[C@@H](C)CC[C@@H]2C)on1	161418590	VXLAVRNOFXYDPL-IUCAKERBSA-N	208.261	1.996	70	20	BDID	
CCOC(=O)CN1CC[C@@H](Nc2ccccc2)C1	160279772	ZZWAPFHMVKQMLB-CYBMUJFWSA-N	248.326	1.736	70	20	BDID	
Cc1nc2n(n1)C[C@H](NC(C1CC1)C1CC1)CC2	160361696	WYMTWVOCTIRULI-GFCCVEGCSA-N	246.358	1.680	70	20	BDID	
CC[C@@H]1CCCN1C(=O)N[C@H]1CCOC1	159446363	SWLDZHQMQWIWFR-VHSXEESVSA-N	212.293	1.359	70	20	BDID	
CC[C@H](C)OCCOCCS(=O)(=O)Cl	112155518	DVSZDZMZSLPXMA-QMMMGPOBSA-N	244.740	1.387	70	20	BDID	
CCCCOC(=O)CCS(=O)(=O)Cl	59103507	TZZSCEHQOFWBLN-UHFFFAOYSA-N	228.697	1.288	70	20	BDID	
CNC[C@@H]1CCCN([C@@H](C)CCOC)C1	218651391	VCAIRZKDYJJCIL-RYUDHWBXSA-N	214.353	1.343	70	20	BDID	
CCCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1	217796725	VTJHMWVLZOPRKY-BJDJZHNGSA-N	233.311	1.984	70	20	BDID	
COCC[C@H](C)NCc1ccncc1C	160596868	QMPDZGDUHJJCDZ-NSHDSACASA-N	208.305	1.905	70	20	BDID	
CC(C)(C)NC(=O)NC1(C)CCNCC1	160578471	ZXGOHNWTVSQBSU-UHFFFAOYSA-N	213.325	1.226	70	20	BDID	
CN(Cc1ccc2c(c1)OCO2)C(=O)C(F)F	218199399	ZTNRIIPWPRURMG-UHFFFAOYSA-N	243.209	1.639	70	20	BDID	
COC[C@@H](C)NCc1cn2c(C)cccc2n1	160343162	HZAUXSXPBIOTKH-SNVBAGLBSA-N	233.315	1.767	70	20	BDID	
CC[C@H](C)N1CCN(C(=O)NC2CCC2)CC1	160519240	DMPWGUIRUZBPFL-NSHDSACASA-N	239.363	1.665	70	20	BDID	
C[C@@H](CO)N(C)C(=O)Cc1cc(F)ccc1F	160490268	ILZYAZIHIKMIPG-QMMMGPOBSA-N	243.253	1.347	70	20	BDID	
CC[C@@H](C)OCC(=O)N[C@H](CO)CC(C)C	160889582	SNVLFDNSWIDNPN-MNOVXSKESA-N	231.336	1.325	70	20	BDID	
NC1(C(=O)N[C@H](Cc2ccccc2)C2CC2)CC1	159820401	GXTVHHPWUHXRMI-CYBMUJFWSA-N	244.338	1.615	70	20	BDID	
CCN[C@H](C)C(=O)NCCCc1ccccc1	218356112	TYNGMZAMYDFLKX-GFCCVEGCSA-N	234.343	1.733	70	20	BDID	
c1ncc(-c2nc3c(s2)CNCC3)cn1	218744016	PNZVJYZJICQRMY-UHFFFAOYSA-N	218.285	1.246	70	20	BDID	
Cc1cccc([C@H]2CCCN2CCO)n1	159834130	DZDVMWQXTYBGGY-GFCCVEGCSA-N	206.289	1.519	70	20	BDID	
C[C@@H](CC(=O)N1CC[C@@H](O)C1)c1ccncc1	161168974	JSBZRUBCHPUIGP-CMPLNLGQSA-N	234.299	1.168	70	20	BDID	
C[C@@H](CO)S[C@@H](C)C(=O)OC(C)(C)C	160737773	BBGQWKVZQIODPF-YUMQZZPRSA-N	220.334	1.831	70	20	BDID	
COCCCCC(=O)N[C@H]1CCC[C@H](N)C1	161042454	KEBKXDIVNUZKST-QWRGUYRKSA-N	228.336	1.189	70	20	BDID	
CCNC(=O)Cn1nc(C2CC2)nc1C1CC1	161468506	RFVBYNCANRAIGJ-UHFFFAOYSA-N	234.303	1.169	70	20	BDID	
CC[C@@H](C)OCC(=O)N(C)C[C@@H]1CCCCO1	160420925	KWYYEQZNGJFOMG-NEPJUHHUSA-N	243.347	1.829	70	20	BDID	
COCCCCC(=O)N[C@@H](CCO)C(C)C	160629168	ALJZDZYSIPYGQQ-NSHDSACASA-N	231.336	1.326	70	20	BDID	
CCC1(O)CN(C(=O)/C=C\c2ccccc2)C1	217458096	KCPZORRXBSCBQQ-HJWRWDBZSA-N	231.295	1.683	70	20	BDID	
COc1ccc([C@H](C)NCCO)cc1Cl	159687902	HJLLRCMCAOTIQD-QMMMGPOBSA-N	229.707	1.992	70	20	BDID	
COCCNC(=S)N[C@@H]1CCOC(C)(C)C1	159748986	IEMVQXNBSQVHPC-SECBINFHSA-N	246.376	1.055	70	20	BDID	
CCOC(C)(C)CNC(=O)c1cscn1	159470409	NAMHCTWEAYEAJQ-UHFFFAOYSA-N	228.317	1.688	70	20	BDID	
CCc1nnc(S(=O)(=O)Cl)n1C1CC1	227584945	CGLUPDASAQBRJG-UHFFFAOYSA-N	235.696	1.103	70	20	BDID	
C[C@H]1C[C@H](S(=O)(=O)Cl)C[C@@H](C)O1	252153688	OWYMXHGDYQFFQR-KVSKUHBBSA-N	212.698	1.511	70	20	BDID	
CS[C@@H](C)CNC(=O)C1=C(C)OCCC1	161374472	ZKNHBNLRFSZNCY-QMMMGPOBSA-N	229.345	1.939	70	20	BDID	
CCCCS[C@H](C)C(=O)N(C)[C@@H](C)CO	160414726	YZPRXXQMEZDOHB-VHSXEESVSA-N	233.377	1.747	70	20	BDID	
CC[C@H](C)OCC(=O)Nc1cccc(F)n1	160528290	QEJBZWPIFHAZDR-QMMMGPOBSA-N	226.251	1.974	70	20	BDID	
CCc1ccccc1C(=O)N(C)Cc1nnc[nH]1	160712922	DSHVZHAVABINPG-UHFFFAOYSA-N	244.298	1.639	70	20	BDID	
CC[C@H]1CCCN(C(=O)[C@@]2(F)CCNC2)CC1	159569234	MWJVSAOLBFKTNM-WCQYABFASA-N	242.338	1.727	70	20	BDID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)NCC1CC1	159579051	NDMOZWBPQONZGM-STQMWFEESA-N	236.359	1.777	70	20	BDID	
CCNC(=O)NC[C@H](O)c1cccc(OC)c1	217426542	NISXXDRIJVGFOD-NSHDSACASA-N	238.287	1.048	70	20	BDID	
CCN(CCCO)C(=O)c1ccc(Cl)o1	160317616	ZQPWTNZTRRIBMA-UHFFFAOYSA-N	231.679	1.778	70	20	BDID	
OB1O[C@H](c2ccccc2)c2ccccc21	196988020	UJEQOMQHKUCKBE-CYBMUJFWSA-N	210.041	1.494	70	20	BDID	
CCSCCN1CCC(N(C)C(C)=O)CC1	159661116	SADHBTIFALZSDA-UHFFFAOYSA-N	244.404	1.682	70	20	BDID	
O=C(Nc1cccc(OCCO)c1)C1CC1	160003187	NMWAIGJWLZFRCO-UHFFFAOYSA-N	221.256	1.406	70	20	BDID	
CC[C@@]1(C)C[C@H]1C(=O)N(C)CC(=O)NC(C)C	160112659	BOMHNWMGXAVWNY-GWCFXTLKSA-N	240.347	1.406	70	20	BDID	
Cc1cccc([C@H](C)NC(=O)[C@@H](C)N)c1C	160834223	YWQPWMKMHIHMSL-MNOVXSKESA-N	220.316	1.828	70	20	BDID	
Cc1nc(CN(C)C[C@@H]2CCC[C@@H]2O)oc1C	159864315	TZIPOAGBOJRGOL-RYUDHWBXSA-N	238.331	1.884	70	20	BDID	
CCOC(=O)CN(C)C(=O)C[C@H](C)SC	161363812	QWJYTIAHLOMAFM-QMMMGPOBSA-N	233.333	1.150	70	20	BDID	
Cc1nsc(N[C@@H](C)[C@@H]2CCOC2)n1	161419081	MKOWSMYEOKPJQU-POYBYMJQSA-N	213.306	1.683	70	20	BDID	
CCN(Cc1ccncc1)C(=O)N[C@H]1CCOC1	159472360	FIDWDAZQGDTBLO-LBPRGKRZSA-N	249.314	1.402	70	20	BDID	
c1cnc(N[C@H]2CCO[C@H](C3CC3)C2)cn1	160288823	BHNUSXQQYKBCFT-QWRGUYRKSA-N	219.288	1.846	70	20	BDID	
CC(C)(C)CCC(=O)NCC(C)(C)N	160120745	QZLKEWIWNKQTLI-UHFFFAOYSA-N	200.326	1.666	70	20	BDID	
CCCN1CCCN(C(=O)CC(C)C)CC1	160384625	MRPXOAJHWYULIV-UHFFFAOYSA-N	226.364	1.977	70	20	BDID	
Cc1cc(C)nc(N[C@@H](C)[C@H]2CCOC2)n1	160430591	OMMYGQDBRFDCHP-QWRGUYRKSA-N	221.304	1.930	70	20	BDID	
CN(Cc1cccn1C)C(=O)[C@H]1CCCS1	160735609	LKBMFRLRRDBZGS-LLVKDONJSA-N	238.356	1.879	70	20	BDID	
CC(C)C[C@@H](C)NC(=O)N[C@@H]1C=C[C@H](CO)C1	159914488	ABBZRKFZFRQWQI-GRYCIOLGSA-N	240.347	1.657	70	20	BDID	
CC[C@H](C)[C@H](C)NC(=O)N[C@@H]1CCOC1	159392897	DUXAITPEHJFBJF-LPEHRKFASA-N	214.309	1.509	70	20	BDID	
COCCCCN1CC[C@@H](CCN)C1	160037948	ZJENDTGDNCWFTD-LLVKDONJSA-N	200.326	1.084	70	20	BDID	
Cc1cnccc1CNC[C@H]1CCOC1	160602101	RTOKNISFRDHRLN-LLVKDONJSA-N	206.289	1.516	70	20	BDID	
O=S(=O)(Cl)N1CCc2sccc2C1	100562737	FCTUNQLFXWQFEN-UHFFFAOYSA-N	237.733	1.590	70	20	BDID	
CCN(CC)[C@@H](C)CNC(=O)[C@H]1CCCCO1	161426876	RMXIJONNITXJHI-NWDGAFQWSA-N	242.363	1.402	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)C1(C)CCC1	160766172	ULCQBDOXFDKKDN-SECBINFHSA-N	227.304	1.635	70	20	BDID	
CCCCNC(=S)N1CCN(CC)[C@@H](C)C1	159747485	BGQAQKKPUINEOV-NSHDSACASA-N	243.420	1.687	70	20	BDID	
C[C@H](CC(=O)NC1(CO)CC1)C(C)(C)C	161080581	MLOGGRRNDRJWFZ-SECBINFHSA-N	213.321	1.700	70	20	BDID	
O=S(=O)(F)Oc1cccc2cnccc12	1887520962	ILAQXEHEKXOFBU-UHFFFAOYSA-N	227.216	1.828	70	20	BDID	
O=C(NC[C@H]1CC=CCC1)N[C@@H]1CCOC1	159441464	GEMYIVDNMMHXKC-WDEREUQCSA-N	224.304	1.431	70	20	BDID	
CN(Cc1ccccn1)C(=O)N[C@@H]1CCOC1	159473094	DTIRIGKWAKGJNJ-LLVKDONJSA-N	235.287	1.012	70	20	BDID	
Cc1ccc(N2C(=O)CNC2=O)cc1F	218416336	RAPQKYSRAILGNW-UHFFFAOYSA-N	208.192	1.190	70	20	BDID	
CCCCCC(=O)N1CC[C@@H](CCN)C1	159995733	XYKIYNZIPAMWGC-LLVKDONJSA-N	212.337	1.764	70	20	BDID	
CCCNC(=S)N(C)[C@H]1CCSC1	160045026	FHZZNLBTVTYWHH-QMMMGPOBSA-N	218.391	1.708	70	20	BDID	
Cn1cnnc1CN1CCC[C@H]1c1ccc[nH]1	160803277	GAIVSQMQCMWZHL-NSHDSACASA-N	231.303	1.480	70	20	BDID	
O=S(=O)(Cl)N1CCC[C@H]2CCC[C@H]21	114450188	PVQCIEQTTPSTTO-HTQZYQBOSA-N	223.725	1.735	70	20	BDID	
CN(CCC1CC1)C(=O)NCCn1ccnc1	160908082	UGKQJSSWWCRROR-UHFFFAOYSA-N	236.319	1.325	70	20	BDID	
CC1(NC(=O)N[C@H]2CCOC2)CCCCC1	159566437	CGEJPQHQTBIXCS-JTQLQIEISA-N	226.320	1.797	70	20	BDID	
CN(CCN1CCCCC1)C[C@@H]1CCC[C@@H]1O	159498885	PWQSVPHNUCECPM-KBPBESRZSA-N	240.391	1.565	70	20	BDID	
C[C@H]1CC[C@@H](CC(=O)N2CC[C@@H](N)C2)C1	160278102	LCAHDVSJJPNDOQ-HBNTYKKESA-N	210.321	1.372	70	20	BDID	
C/C=C/C=C\C(=O)N1CCC2(CC1)CNC(=O)C2	217507952	QWAGSCWCCYWSTN-IAROGAJJSA-N	248.326	1.247	70	20	BDID	
C[C@@H](N)CNC1C2CC3CC(C2)CC1C3	216715287	OEBFWHMMZGQAGK-GLFGPFBSSA-N	208.349	1.748	70	20	BDID	
C[C@@H]1CCC[C@@H](C(=O)NCc2nncn2C)C1	160132466	IMVJWKWOSRISFS-NXEZZACHSA-N	236.319	1.258	70	20	BDID	
N[C@@H]1CCN(C(=O)Cc2cc(F)ccc2F)C1	160242379	OIWUFNNEVLBLFV-SNVBAGLBSA-N	240.253	1.067	70	20	BDID	
C[C@@H](CO)N(C)C(=O)[C@@H](C)N1CCCCCC1	160501703	CPTZTMNTYQBCJM-NWDGAFQWSA-N	242.363	1.090	70	20	BDID	
COC[C@H](Cc1ccccc1)NCC(C)(C)O	160622032	GYDZQFASRGZHLD-ZDUSSCGKSA-N	237.343	1.605	70	20	BDID	
CN(Cc1cnc2ccccn12)C[C@H]1CCOC1	160965875	YAMYFHFFYWWNAG-GFCCVEGCSA-N	245.326	1.803	70	20	BDID	
Cn1cnnc1CN1CCc2ccccc21	160676891	SJWRAWAHQDBJLK-UHFFFAOYSA-N	214.272	1.378	70	20	BDID	
Cc1cccc(NC(=O)N[C@@H]2CCOC2)c1	159388780	YHWLDOGBLRWJEC-LLVKDONJSA-N	220.272	1.905	70	20	BDID	
CC[C@](C)(O)CNCc1ccncc1C	160610941	ADCWPDJLGLGUNF-LBPRGKRZSA-N	208.305	1.641	70	20	BDID	
COCCCCN1CC[C@@H]([C@H](C)N)C1	159455949	CHYNVRUJSFVIFB-WDEREUQCSA-N	200.326	1.082	70	20	BDID	
CO[C@@H](C)C(=O)N[C@H]1CCOC2(CCCC2)C1	159459744	PBDHVCNYFMXSBP-QWRGUYRKSA-N	241.331	1.629	70	20	BDID	
CCCO[C@@H]1CCCN(C(=O)[C@H](C)N)CC1	159469648	FJMLXALQXVTTIX-WDEREUQCSA-N	228.336	1.141	70	20	BDID	
CC[C@@H]1CCC[C@H](NC(=O)[C@]2(F)CCNC2)C1	159366736	UPQQIHDHZPYEJO-MDZLAQPJSA-N	242.338	1.773	70	20	BDID	
O=S(=O)(F)Oc1cccc2c1CCC[C@H]2O	1887503637	FSWXFHJZBZQRCL-SECBINFHSA-N	246.259	1.649	70	20	BDID	
c1cnc(N[C@@H]2CCO[C@H](C3CC3)C2)nc1	160394651	WELGMIJCMPGJPJ-MNOVXSKESA-N	219.288	1.846	70	20	BDID	
CCN(CC(C)(C)O)[C@H](C)CCOC	160724113	KROQMQBUFSNHCX-SNVBAGLBSA-N	203.326	1.504	70	20	BDID	
CCNC(=O)C(C)(C)CNc1cnccn1	161356011	MYKQAWMMZUOHMQ-UHFFFAOYSA-N	222.292	1.051	70	20	BDID	
CON(C)C(=O)c1cnccc1C(C)C	217984376	BIEGYGSHYUQEMS-UHFFFAOYSA-N	208.261	1.838	70	20	BDID	
CC1(C)C[C@@H](S(=O)(=O)Cl)C(C)(C)O1	126007478	JERUZYYAKYJBNR-ZCFIWIBFSA-N	226.725	1.901	70	20	BDID	
COCCCC(=O)N(C)Cc1cccn1C	160789643	POHKTNQIKRHUSL-UHFFFAOYSA-N	224.304	1.410	70	20	BDID	
Cc1ccccc1CN(C)S(=O)(=O)Cl	104733757	WOXQNLHPTKCCRJ-UHFFFAOYSA-N	233.720	1.910	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1ccn(C)c(=O)c1	159778416	DYQGFIJLMVNDCI-PWSUYJOCSA-N	248.326	1.694	70	20	BDID	
CCC(N)(CC)CNC(=O)C1(C)CCC1	160482572	VSAIJZCSBDNZFO-UHFFFAOYSA-N	212.337	1.810	70	20	BDID	
C[C@H]1CCCN(C(=O)N[C@@H]2CCOC2)C1	159568266	BIFQCWIMYQYEGD-VHSXEESVSA-N	212.293	1.217	70	20	BDID	
CNC(=S)NCCCCC(F)(F)F	159579288	JXYNPBMDPNTIAX-UHFFFAOYSA-N	214.256	1.813	70	20	BDID	
CSCC[C@@H](N)C(=O)N[C@@H](C)CC1CC1	159854782	ONDZYEXKYDHLHK-WCBMZHEXSA-N	230.377	1.372	70	20	BDID	
C[C@H](C(=O)N[C@H]1CCC[C@H](N)C1)C1CC1	160838884	TVWAVKJEDUTRQG-LSJOCFKGSA-N	210.321	1.419	70	20	BDID	
O=C(NC1(CO)CCC1)c1cc(Cl)c[nH]1	161105836	UKHIUJCWZSKSLM-UHFFFAOYSA-N	228.679	1.313	70	20	BDID	
O=C(NC1CCCCC1)[C@@H]1C[C@H]2C[C@H]2N1	217679848	CNYLIBNOYOPAMS-IEBDPFPHSA-N	208.305	1.186	70	20	BDID	
C[C@@]1(CNC(=O)NCC2CC2)CCCS1	159815632	BPXQOYBVANTJIB-NSHDSACASA-N	228.361	1.981	70	20	BDID	
N#Cc1cccc(OCCS(=O)(=O)Cl)c1	108304120	RXCRPBBYZWQADJ-UHFFFAOYSA-N	245.687	1.506	70	20	BDID	
O=C(/C=C\c1ccccc1)N1C[C@@H]2CNC[C@@H]2C1	218322050	FEQRKEJRZYWFFT-JMCXLMSJSA-N	242.322	1.378	70	20	BDID	
CC/C=C(\C)C(=O)N(C)C[C@@H](C)C(=O)OC	218170219	LJZKOWHHUAUAMI-TTZKWOQHSA-N	227.304	1.610	70	20	BDID	
O[C@H](C1CCN(CCCF)CC1)C(F)(F)F	161205335	LJTGSLQIJTWJPB-SECBINFHSA-N	243.244	1.981	70	20	BDID	
CCO[C@H](C(=O)NCCCN)c1ccccc1	160009476	ZTSYVLCDISOLJY-LBPRGKRZSA-N	236.315	1.229	70	20	BDID	
CCC[C@H](C(=O)NCCOC)C(C)C	160455421	FAHFSQYZBHJTSU-JTQLQIEISA-N	201.310	1.821	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)[C@@H](C)OCC1CC1	160917084	PNABEDBAPNVKDD-ZYHUDNBSSA-N	243.347	1.325	70	20	BDID	
CC(C)(O)CCSCCN1CCOCC1	159848068	YQYGIAFSTWWQKY-UHFFFAOYSA-N	233.377	1.213	70	20	BDID	
CCC[C@H](N)C(=O)N1CCOC[C@H]1CC(C)C	159630665	OADUACCBNHAFGF-NEPJUHHUSA-N	242.363	1.387	70	20	BDID	
CC[C@H](C(N)=O)N(C)Cc1cccc(N(C)C)c1	159825401	DWTLZRDGVSZMRT-CYBMUJFWSA-N	249.358	1.448	70	20	BDID	
O=S(=O)(F)C[C@]1(c2ccccc2)CCCO1	1887504677	MGMOLVLDNRIXCX-NSHDSACASA-N	244.287	1.992	70	20	BDID	
O[C@@H]1CCOC[C@H]1Nc1cnc2ccccc2n1	217619965	UNMNJDYJKWWGJA-VXGBXAGGSA-N	245.282	1.192	70	20	BDID	
C[C@@H](NCc1cnn(C)c1)c1cscn1	161163102	MLIKUKOUEHSKDJ-MRVPVSSYSA-N	222.317	1.727	70	20	BDID	
O=S(=O)(Cl)c1cc(C2OCCO2)co1	100448701	ZCHYQDNMIRNNOE-UHFFFAOYSA-N	238.648	1.253	70	20	BDID	in-vitro
CCOc1cccc(C(=O)N(C)[C@H](C)CO)c1	160378915	UUGIQSXNMPJVDR-SNVBAGLBSA-N	237.299	1.538	70	20	BDID	
CC(C)[C@@H](C(=O)N1C[C@H]2CCC[C@H]2C1)N(C)C	159422909	RTPRALFUPUKOOO-XQQFMLRXSA-N	238.375	1.831	70	20	BDID	
CCCN(CC)CCNc1cc(F)ncn1	218738935	WSFLPEWQXJIENS-UHFFFAOYSA-N	226.299	1.760	70	20	BDID	
O=C1CCCc2cc(OS(=O)(=O)F)ccc21	1887504010	UPALFDPKPYHWIL-UHFFFAOYSA-N	244.243	1.799	70	20	BDID	
COc1ccc(CNC(=O)C(F)F)cc1OC	217637769	BDUQDXLMXPOQQR-UHFFFAOYSA-N	245.225	1.585	70	20	BDID	
Cc1c(CNCc2ccoc2)cnn1C	160141700	PLTKEXWMESWFFO-UHFFFAOYSA-N	205.261	1.611	70	20	BDID	
O=C(OC[C@H]1CCOC1)c1ccncc1F	161434610	JCNGIFKXBDDVIV-QMMMGPOBSA-N	225.219	1.414	70	20	BDID	
O=S(=O)(F)CCN1CCCc2ncccc21	883953942	RLRWDSUYYRVIRZ-UHFFFAOYSA-N	244.291	1.134	70	20	BDID	
O=C(NCC1(C2CC2)CC1)[C@@H]1CCCCO1	159854300	JGQMBSUEQNTKAK-NSHDSACASA-N	223.316	1.862	70	20	BDID	
Cc1cccc(CN(C)C(=O)N[C@@H]2CCOC2)c1	159385076	KSOMKZZFKCBGCB-CYBMUJFWSA-N	248.326	1.925	70	20	BDID	
CCCNC(=O)CN1CC[C@@H]2CCCC[C@@H]21	159656533	WHGDMRQYLMFGEI-RYUDHWBXSA-N	224.348	1.777	70	20	BDID	
CCOC(=O)CCCN(C)C[C@@H]1CCC[C@@H]1O	159807739	YKKKWCJALZHIQK-RYUDHWBXSA-N	243.347	1.423	70	20	BDID	
CCOC(=O)CN(C)Cc1nccn1C(C)C	160859564	HGBPPKNFPNRRTD-UHFFFAOYSA-N	239.319	1.459	70	20	BDID	
Cc1ccc(N(C)C(=O)C[C@@H]2COC(=O)C2)cc1	160126747	YCHOJFDDCIJZBM-NSHDSACASA-N	247.294	1.911	70	20	BDID	
C[C@H]1CN(C)CCN1Cc1cccnc1	217120833	QRCNTSKNCDPAPM-NSHDSACASA-N	205.305	1.218	70	20	BDID	
C[C@@H]1CN(S(=O)(=O)Cl)CC[C@H]1C	253062157	FPNGBLICUGPTMO-RNFRBKRXSA-N	211.714	1.448	70	20	BDID	
CC1=C(C(=O)NOCC(C)C)CCCO1	161300833	ODDNUTUAUMJFRA-UHFFFAOYSA-N	213.277	1.775	70	20	BDID	
CC[C@H](C)OCC(=O)NCc1ccn(C)c1	160425260	BZHUXSMYPMOCKI-JTQLQIEISA-N	224.304	1.456	70	20	BDID	
CC[C@@H]1CCN(C(=O)N[C@@H]2CCOC2)C1	159433163	DBIHIOZADHJPRN-NXEZZACHSA-N	212.293	1.217	70	20	BDID	
COC(=O)[C@H](c1ccccc1)N(C)C[C@@H](C)O	159385009	LNICVAIYJPZPIY-PWSUYJOCSA-N	237.299	1.213	70	20	BDID	
CC1(C)CN(C(=O)CNC2CC2)CCS1	159623571	YWAMNSQCKJNVJR-UHFFFAOYSA-N	228.361	1.092	70	20	BDID	
CCC[C@@H](S[C@@H](C)CO)C(=O)OCC	160729448	ZKEQMSFBZLULIQ-DTWKUNHWSA-N	220.334	1.832	70	20	BDID	
C[C@H](N)C(=O)NCC(C)(C)Cc1ccccc1	161075371	LNBZNRVKCPZCMS-NSHDSACASA-N	234.343	1.719	70	20	BDID	
CC(C)OC(=O)CSCCn1ccnc1	160148830	RHHVXIGBVOXQHX-UHFFFAOYSA-N	228.317	1.568	70	20	BDID	
Cc1nc(NC(=O)[C@H]2CCCO2)cc(C2CC2)n1	160286699	WOOCBNHUINYXMN-LLVKDONJSA-N	247.298	1.780	70	20	BDID	
CO[C@@H](C)C(=O)NCCCC(F)(F)F	160795624	HPEVNUQUIRYNGK-LURJTMIESA-N	213.199	1.480	70	20	BDID	
O=C(Nc1ccc(F)cc1)N[C@@H]1CCOC1	159389917	UPDYODUJEOSDAC-SNVBAGLBSA-N	224.235	1.736	70	20	BDID	
COc1ccccc1NC(=O)C(F)F	217593620	MEIGSQZUJLQKHT-UHFFFAOYSA-N	201.172	1.899	70	20	BDID	
Cc1cc(C(=O)NCC(=O)C(C)(C)C)co1	161490264	ZNGGIBUWHDWEAS-UHFFFAOYSA-N	223.272	1.933	70	20	BDID	
CC[C@@]1(C)C[C@@H]1C(=O)NCCn1ccnc1	159790546	FDWYSNZLPYXMQA-PWSUYJOCSA-N	221.304	1.436	70	20	BDID	
CC[C@@H](CSC)Nc1nccn(C)c1=O	217384003	LWNLYLGRFCFXGG-QMMMGPOBSA-N	227.333	1.334	70	20	BDID	
C[C@@H](C(=O)N(C)[C@@H](C)CO)c1cccs1	160480493	CDEJYPHLZDLLDK-DTWKUNHWSA-N	227.329	1.691	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc[nH]c1	160255117	IGECQRXCQPMDCK-MRVPVSSYSA-N	224.260	1.086	70	20	BDID	
CC(C)N(C(=O)C[C@@H]1CCCN1)C1CCC1	160561957	GYRWSOSHLVQHFH-NSHDSACASA-N	224.348	1.918	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)[C@H](C)OCC1CC1	160917422	PNABEDBAPNVKDD-CMPLNLGQSA-N	243.347	1.325	70	20	BDID	
COCCCCN1CC[C@H]([C@H](C)N)C1	159456234	CHYNVRUJSFVIFB-QWRGUYRKSA-N	200.326	1.082	70	20	BDID	
C[C@@H]1CC[C@H](C(=O)NCCNC(C)(C)C)O1	159805078	FFQOAGSRLNYLIH-NXEZZACHSA-N	228.336	1.058	70	20	BDID	
C[C@@H](NCc1ccc(N(C)C)nc1)[C@@H]1CCCO1	159988598	QIZVJOIYTHSGNR-YPMHNXCESA-N	249.358	1.805	70	20	BDID	
CCN(Cc1cnn(C)c1)Cc1nc(C)no1	161111733	KNTUKHWBXZTOCF-UHFFFAOYSA-N	235.291	1.134	70	20	BDID	
Cc1ccc2ncc(S(=O)(=O)Cl)n2c1	212250928	FCYDDBPSFSCJOL-UHFFFAOYSA-N	230.676	1.570	70	20	BDID	
O=S(=O)(Cl)c1c2c(nn1C1CC1)CCC2	584880610	JDOIQBKYJHJEAO-UHFFFAOYSA-N	246.719	1.634	70	20	BDID	
CN(C)C(C)(C)CNC(=O)[C@H]1CCCCO1	161169997	LHLTVYGKXAHHRB-SNVBAGLBSA-N	228.336	1.012	70	20	BDID	
CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H](N)C2)c1C	160279214	JJJYHFPWLOITHV-SNVBAGLBSA-N	249.314	1.007	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)CC1CCC1	160388105	XXBLWPYATVKUSJ-VIFPVBQESA-N	227.304	1.635	70	20	BDID	
CC(C)NC(=O)CCCNC(=O)c1cccnc1	160960810	ZERGZOFIVYHXAX-UHFFFAOYSA-N	249.314	1.116	70	20	BDID	
CS[C@H](C)CC(=O)NCc1nccs1	159705998	WUKKYHVAPFKHOL-SSDOTTSWSA-N	230.358	1.901	70	20	BDID	
C[C@H]1CC[C@@H](C(=O)Nc2ccncc2O)O1	159733777	OOFKNJWQVUEWOW-XVKPBYJWSA-N	222.244	1.293	70	20	BDID	
O=C(N[C@@H]1CCOC1)N1CCc2ccccc2C1	159366135	FNYKDTRPSHYQSE-CYBMUJFWSA-N	246.310	1.543	70	20	BDID	
CCc1ncnc(NCCN(C)C(C)C)c1F	218001632	LNGYRBMUACIGSU-UHFFFAOYSA-N	240.326	1.930	70	20	BDID	
Cc1ccsc1C(=O)NC(C)(C)CCO	160783876	UKUXJQQKGFIROD-UHFFFAOYSA-N	227.329	1.947	70	20	BDID	
CC(C)C(=O)Nc1cccc(S(=O)(=O)F)c1	460095711	SIIROTKIUKONTP-UHFFFAOYSA-N	245.275	1.939	70	20	BDID	
CCN(CCN[C@@H]1CS[C@@H](C)C1)C1CC1	217416188	ZUHCIQCMZRVPPD-QWRGUYRKSA-N	228.405	1.954	70	20	BDID	
CCN(CC)C(=O)N1CC[C@H](N)C[C@H]1C	160168301	WRRPTRZXNLHYMQ-ZJUUUORDSA-N	213.325	1.260	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)[C@H](C(C)C)N(C)C	160631388	FGOULWFDZZDYNL-RYUDHWBXSA-N	244.379	1.096	70	20	BDID	
CCc1ncnc(N(C)CCn2cccn2)c1F	159682602	CYDYFHPZAQVESM-UHFFFAOYSA-N	249.293	1.511	70	20	BDID	
Cc1nccn1CCCS(=O)(=O)C(C)C	160657818	TUIXMLVLHDMKGS-UHFFFAOYSA-N	230.333	1.405	70	20	BDID	
N[C@@H]1CCC[C@H](NC(=O)CCc2ccccn2)C1	160996806	IYWVCNBLGIPULV-YPMHNXCESA-N	247.342	1.400	70	20	BDID	
CCc1cc(O)nc(CN(C)[C@@H](C)C2CC2)n1	161012720	YJNWLFZHMHAWFE-VIFPVBQESA-N	235.331	1.975	70	20	BDID	
COc1ccncc1CS(=O)(=O)Cl	306392118	AZOHHZCRYAYOIC-UHFFFAOYSA-N	221.665	1.159	70	20	BDID	
CC[C@H]1CCCN(S(=O)(=O)Cl)CC1	112479962	QTGKDRIBCNKETL-QMMMGPOBSA-N	225.741	1.982	70	20	BDID	
COCC(COC)NC(=O)OC(C)(C)C	217473340	IZMCAQNTTZWNNI-UHFFFAOYSA-N	219.281	1.173	70	20	BDID	
CC(C)(C)CNC(=O)c1ccncc1F	161400336	QDSLXIATLNTNEC-UHFFFAOYSA-N	210.252	1.997	70	20	BDID	
C[C@@H](CO)CNC(=O)c1cc2ccccn2c1	160511628	DPPDCUMVMRXKIJ-SNVBAGLBSA-N	232.283	1.298	70	20	BDID	
COC[C@@H](C)C(=O)Nc1ccc(OC)c(N)c1	161134340	IMVPWZBJRPJZID-MRVPVSSYSA-N	238.287	1.498	70	20	BDID	
C[C@H](CO)SCC(=O)N1CCCC[C@H]1C	160739885	ASKDQWQHNFAARZ-NXEZZACHSA-N	231.361	1.501	70	20	BDID	
N[C@@H]1CCC[C@@H](NC(=O)C2CCCCC2)C1	160987206	LSEXTZHOVWATLS-VXGBXAGGSA-N	224.348	1.953	70	20	BDID	
CC[C@H]1CCCC[C@H]1NCC1(CO)COC1	161431709	JZOZRHBOLXYSFU-NWDGAFQWSA-N	227.348	1.554	70	20	BDID	
CCO[C@H]1C[C@@H](NC(=O)[C@H](C)N)C12CCCC2	161110755	KJLQENRHMSEIHQ-AXFHLTTASA-N	240.347	1.188	70	20	BDID	
CC[C@]1(C)C[C@H]1C(=O)NCC(=O)NC(C)(C)C	160158619	IZCUTXSCVIVFEI-TVQRCGJNSA-N	240.347	1.454	70	20	BDID	
CCN(CC)CCNC(=O)[C@@H]1CCCCO1	160965621	ZQZYQPCFAAWNEM-NSHDSACASA-N	228.336	1.014	70	20	BDID	
Cc1cc(NC(=O)c2ccncc2)c[nH]c1=O	159494571	HZDXAHKKLXYUOK-UHFFFAOYSA-N	229.239	1.331	70	20	BDID	
CNC(=O)c1cccc2c1OCC2(C)C	217118474	ODSHVWQNBAGTMB-UHFFFAOYSA-N	205.257	1.716	70	20	BDID	
CN(CCCCCO)C[C@H]1CCC[C@@H]1O	159712531	WNHLYDLASHOEMH-NEPJUHHUSA-N	215.337	1.242	70	20	BDID	
C[C@@H](CC(N)=O)N[C@H](C)c1cncs1	160673104	DUPPRMNMMCQHOP-NKWVEPMBSA-N	213.306	1.058	70	20	BDID	
C[C@@H](CCO)CN[C@H](C)c1cscn1	161215036	YZUFXVHGALCPAY-DTWKUNHWSA-N	214.334	1.812	70	20	BDID	
C[C@H](CCC(C)(C)C)NC(=O)[C@@H](C)N	161229639	RMEFQVHMVTVQOJ-RKDXNWHRSA-N	200.326	1.665	70	20	BDID	
Cc1cc(CN2CCC[C@@H]2C(N)=O)ccc1F	160329480	MTWVXOMEXVTEDA-GFCCVEGCSA-N	236.290	1.584	70	20	BDID	
Cc1nc2n(n1)C[C@H](N[C@@H](C)C(C)(C)C)CC2	160512250	QTMRRXRSLMKQTB-GXSJLCMTSA-N	236.363	1.926	70	20	BDID	
CO[C@H](C)C(=O)Nc1ccc(O)cc1C	160788147	WYRUSFKEFVLEMX-MRVPVSSYSA-N	209.245	1.674	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)c1csnn1	159618913	CIIBPBWQNQICHJ-JGVFFNPUSA-N	225.317	1.847	70	20	BDID	
C[C@H]1CC[C@H](C(=O)NCCc2cccc(O)c2)O1	159673925	CPTCCLXKCFKJAI-GXFFZTMASA-N	249.310	1.618	70	20	BDID	
CC(=O)c1ccc(OS(=O)(=O)F)c(F)c1	1887503884	NTCHNSHGGSGISG-UHFFFAOYSA-N	236.195	1.621	70	20	BDID	
CC[C@@H](O)CCN[C@@H](C)c1ccccn1	159388875	FGLIZKXGEUMIHA-WDEREUQCSA-N	208.305	1.893	70	20	BDID	
CS[C@@H](C)CNC(=O)c1ccccc1O	159532440	BZWKCLKFUFKVML-QMMMGPOBSA-N	225.313	1.874	70	20	BDID	
C[C@H](CO)SCc1nccn1C(F)F	160750398	UEALJYLQNBVOFV-ZCFIWIBFSA-N	222.260	1.892	70	20	BDID	
O=C(NC1CCCCCC1)N[C@H]1CCOC1	159460407	WUKWBGFMINAAER-NSHDSACASA-N	226.320	1.797	70	20	BDID	
O=CN1Cc2ccc(S(=O)(=O)Cl)cc2C1	100631756	HHAKFAFZEPPAOQ-UHFFFAOYSA-N	245.687	1.086	70	20	BDID	
CC[C@@H](CSC)NCCS(=O)(=O)CC	217330044	RZUFUGWUEGLNAC-VIFPVBQESA-N	239.406	1.152	70	20	BDID	
CSC[C@](C)(O)CNc1cc(C)ncn1	217507310	QCOQZZACBWEUTK-SNVBAGLBSA-N	227.333	1.311	70	20	BDID	
CCC1(C)CCN(C(=O)N[C@H]2CCOC2)CC1	159461902	LNYMUOUBCIPNHW-NSHDSACASA-N	240.347	1.997	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(=O)n(C)n1	159579096	ARZVGLKKSSEDRH-UWVGGRQHSA-N	249.314	1.089	70	20	BDID	
CN(C)S(=O)(=O)N1CCC[C@H]2CCCC[C@H]21	159480437	RHYDZLISWSUKAG-GHMZBOCLSA-N	246.376	1.447	70	20	BDID	
COC[C@H](O)CNC/C=C\c1ccccc1	217221819	YSLASXYDVDLQSG-DMTLFAOVSA-N	221.300	1.297	70	20	BDID	
CCCCNC(=O)NC1(C)CCNCC1	160577622	AHBYOPVCSOLSKR-UHFFFAOYSA-N	213.325	1.228	70	20	BDID	
CCCNC(=O)CN[C@H](C)c1cscn1	161141531	BZJZZQRUQXEQGE-MRVPVSSYSA-N	227.333	1.320	70	20	BDID	
O=C(Cc1cccs1)N[C@H]1CCC[C@@H]1O	161275473	UWRJXMBUFDQIQX-UWVGGRQHSA-N	225.313	1.320	70	20	BDID	
COc1cc(C(=O)Nc2ccncc2O)on1	159371107	OSMBUUVXIMUOIO-UHFFFAOYSA-N	235.199	1.036	70	20	BDID	
CC(C)CNC(=O)N1C[C@H](C)O[C@@H](C)C1	217269392	DMANMBVGZVZBAL-UWVGGRQHSA-N	214.309	1.461	70	20	BDID	
Cc1cc(C[C@@H](C)NC(=O)C(C)(C)C)n[nH]1	161067281	AAUQTRAWXWTQHI-MRVPVSSYSA-N	223.320	1.811	70	20	BDID	
COc1cc(F)c(C(=O)NC2CC2)cc1OC	161222988	PIBYLMDQHUAQOM-UHFFFAOYSA-N	239.246	1.735	70	20	BDID	
CCCCO[C@H](C)C(=O)NC[C@H](C)CCO	160966404	HLMVBHHJLBZMKO-GHMZBOCLSA-N	231.336	1.326	70	20	BDID	
CC[C@@H](C)OCC(=O)N(CC)CCC(=O)OC	159959901	YLRVFBXSBKPNEI-SNVBAGLBSA-N	245.319	1.213	70	20	BDID	
C[C@@H]1CCCN(C(=O)N[C@H]2CCOC2)C1	159568414	BIFQCWIMYQYEGD-ZJUUUORDSA-N	212.293	1.217	70	20	BDID	
COCC[C@@H](C)N1CC[C@H](CCN)C1	160050396	XEADQZCNKMFPGT-MNOVXSKESA-N	200.326	1.082	70	20	BDID	
C[C@@H](CC1CCOCC1)NCC(C)(C)O	160657722	RFBZIHVCGNHJMJ-JTQLQIEISA-N	215.337	1.552	70	20	BDID	
CC[C@H]1CN(CCCN2CCCCC2)CCO1	161269029	JSBSESAPOLBVRA-AWEZNQCLSA-N	240.391	1.973	70	20	BDID	
CN1CCC[C@@H]1CCN1CCOC(C)(C)C1	161402136	XWSDVUGNMGZJHU-GFCCVEGCSA-N	226.364	1.582	70	20	BDID	
O=S(=O)(CC[C@@H]1CCNC1)c1ccccc1	217105823	PWWXKMKXBKXEFP-NSHDSACASA-N	239.340	1.460	70	20	BDID	
CC[C@H](SC)C(=O)N[C@H](CO)CC(C)C	160842736	LYISLRHTHZLBHP-UWVGGRQHSA-N	233.377	1.651	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)CCn1cncn1	159646740	CYRLVMHIGAUIJF-WDEREUQCSA-N	236.319	1.363	70	20	BDID	
O=S(=O)(F)Oc1ccccc1-n1ccnc1	1887576983	SPWCOSNXHHMORL-UHFFFAOYSA-N	242.231	1.465	70	20	BDID	
CC(C)CN(C)C(=O)[C@@]1(C)CCCCN1	159563633	AFYJPJBJGBLBJT-GFCCVEGCSA-N	212.337	1.633	70	20	BDID	
C[C@@H]1C[C@H]1C(=O)NC[C@]1(C)CCCNC1	159966430	FKUBKBAXEJVOND-CKYFFXLPSA-N	210.321	1.148	70	20	BDID	
C[C@@H](CO)N(C)C(=O)CC[C@H]1CC[C@@H](C)O1	160592531	SPPMZCKLFQPSFV-HBNTYKKESA-N	229.320	1.173	70	20	BDID	
CC(C)CN(CC(N)=O)C(=O)C[C@@H]1C=CCC1	159776479	LQUYUFHBGQONBV-LLVKDONJSA-N	238.331	1.313	70	20	BDID	
CC[C@@H](NS(C)(=O)=O)c1ccc(F)cc1F	159609241	INVBASGAOFKVJU-SNVBAGLBSA-N	249.282	1.965	70	20	BDID	
CSCC[C@@H](C)N(C)C(=O)[C@@]1(F)CCNC1	159723481	XJKZXFCOSSVOED-MWLCHTKSSA-N	248.367	1.288	70	20	BDID	
Cc1cc(NC(=O)CC(C)C)c[nH]c1=O	159588509	ZHQJHHRGKDRJJT-UHFFFAOYSA-N	208.261	1.668	70	20	BDID	
CCOCCCN1CCS[C@H](C)C1	160584802	LHBVFGDVYDIMJU-SNVBAGLBSA-N	203.351	1.850	70	20	BDID	
Cc1nccc(N2CCC[C@@](C)(O)C2)n1	160842651	INXLVQYSIUZWBP-LLVKDONJSA-N	207.277	1.136	70	20	BDID	
Cn1nccc1CSc1nncs1	161249375	JDASEDXBWBZDGG-UHFFFAOYSA-N	212.303	1.564	70	20	BDID	
COc1cc(NCc2cnnn2C)ccc1F	160148140	HXEGIZRTWHXWKX-UHFFFAOYSA-N	236.250	1.575	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)C1CCC1	160813813	IPUPILAKXICIHC-QMMMGPOBSA-N	213.277	1.244	70	20	BDID	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NCC1CC1	159627549	SZAUOTBSBUQYFQ-KWQFWETISA-N	209.289	1.518	70	20	BDID	
CCNC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1	159832966	FWMQMVXKCMXXQM-UHFFFAOYSA-N	249.314	1.591	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)CS(=O)(=O)CC	159682587	JPKWGTZXCBXGRC-VHSXEESVSA-N	247.360	1.116	70	20	BDID	
NCC(=O)N[C@@H]1CCC[C@@H]1c1ccccc1	159715337	LRDUUWQVZADGHI-VXGBXAGGSA-N	218.300	1.398	70	20	BDID	
Cc1ccsc1CNC(=O)N[C@@H]1CCOC1	159395225	UAIFNRLIVWSKGW-SECBINFHSA-N	240.328	1.645	70	20	BDID	
CN(CC1CCOCC1)C(=S)NC1CC1	161122854	ZPCAKQIGNVJTDW-UHFFFAOYSA-N	228.361	1.382	70	20	BDID	
CC[C@@H](O)CCN[C@@H](C)c1cscn1	161227070	XMKVYTNIPOYFRF-DTWKUNHWSA-N	214.334	1.955	70	20	BDID	
CCCCSCCC(=O)N1CCC[C@H](O)C1	159591376	NHPHRITYBFPBTG-NSHDSACASA-N	245.388	1.893	70	20	BDID	
C[C@@H](O)CC(C)(C)CNC(=O)[C@@H]1CCCCO1	159694257	NEEQTTNIHCXGCP-MNOVXSKESA-N	243.347	1.469	70	20	BDID	
CCN(C)C(=O)N1CC[C@H](N2CCCCC2)C1	160558249	HXBMOABVGVHTNP-LBPRGKRZSA-N	239.363	1.618	70	20	BDID	
CC[C@@H](C)NC(=O)C(=O)Nc1ccc(C)nc1	159701228	RZSKBOSHXDGOKY-MRVPVSSYSA-N	235.287	1.243	70	20	BDID	
CCOCCO[C@H](C)C(=O)NC1CC=CC1	161017848	RJOBCKKYWZDUMU-SNVBAGLBSA-N	227.304	1.263	70	20	BDID	
CC[C@@H](C)[C@H](C)NC(=O)c1cccnc1O	161064449	UFWWZPSPSMUCIO-BDAKNGLRSA-N	222.288	1.952	70	20	BDID	
CCCN(CCO)C(=O)NCC(CC)CC	160603601	FXDSGEWQGGWMAB-UHFFFAOYSA-N	230.352	1.837	70	20	BDID	
COc1ccc(CN(C)S(=O)(=O)Cl)cc1	104738091	BSJMPTUQUMTXLP-UHFFFAOYSA-N	249.719	1.611	70	20	BDID	
Cc1nnc2c(NC[C@H]3CC3(C)C)nccn12	218054164	ZFCDCKPDXVSOBN-SECBINFHSA-N	231.303	1.891	70	20	BDID	
CCc1ncnc(NCC(F)F)c1F	218054449	ZVCGFHZXJCLXJT-UHFFFAOYSA-N	205.183	1.855	70	20	BDID	
Cc1noc([C@@H](C)NC(=O)OC(C)(C)C)n1	218412044	KRZNFMNCDPFVSA-ZCFIWIBFSA-N	227.264	1.964	70	20	BDID	
c1cc(CCN2CCC3(C2)OCCO3)ccn1	160696923	SNEZASZUYZBHOH-UHFFFAOYSA-N	234.299	1.073	70	20	BDID	
Cc1cnc(N2CCC[C@](C)(O)C2)nc1	160846619	LHWYBOYMNFYGTA-NSHDSACASA-N	207.277	1.136	70	20	BDID	
Cc1c(C(=O)O)cc(F)cc1S(=O)(=O)F	238833347	AQNQLXQUDJTOSX-UHFFFAOYSA-N	236.195	1.491	70	20	BDID	
CN[C@@H]1CCN(C(=O)CCC2CCOCC2)C1	160807102	HFSJNPSSHALMRW-GFCCVEGCSA-N	240.347	1.014	70	20	BDID	
CC1(C)CN(C(=O)N[C@@H]2CCOC2)CCS1	159456209	DSXDWVMJAIJDIP-SECBINFHSA-N	244.360	1.312	70	20	BDID	
COC[C@H](C)NC(=S)N(C)[C@H]1CCSC1	160047354	DLBIIAUFSUPBRU-IUCAKERBSA-N	248.417	1.333	70	20	BDID	
O=C1CN(Cc2ccc(F)c(Cl)c2)CCN1	160490661	JNXDDQGRTZAEMB-UHFFFAOYSA-N	242.681	1.411	70	20	BDID	
O=C(CCC(F)(F)F)N1CC[C@@H]2CNC[C@@H]21	216626990	XKFSVXAGLJWTKF-SFYZADRCSA-N	236.237	1.149	70	20	BDID	
CC[C@H](C)c1cc(C(=O)NCCCN)on1	160039775	LHNOSTVHFFVORD-QMMMGPOBSA-N	225.292	1.267	70	20	BDID	
CCc1nc(CN(C)CC2CCOCC2)n[nH]1	160211780	GIPNKOXGXWLPON-UHFFFAOYSA-N	238.335	1.226	70	20	BDID	
CC1(NC(=O)c2ccoc2)CCNCC1	160575670	MZPLEUALSKWHPH-UHFFFAOYSA-N	208.261	1.152	70	20	BDID	
O=S(=O)(Cl)CCCOCC(F)(F)F	109076755	YKQCONRRADSCKV-UHFFFAOYSA-N	240.630	1.524	70	20	BDID	
CCCC1(CNC(=O)c2ccc(=O)n(C)n2)CC1	160689156	RPZCUWUZTNWKQU-UHFFFAOYSA-N	249.314	1.090	70	20	BDID	
NCCCNC(=O)CCOCc1ccccc1	160044557	NZYJUGDYIOSKEM-UHFFFAOYSA-N	236.315	1.058	70	20	BDID	
Cc1ccccc1CN(C)Cc1nncn1C	160686542	OHRPSCHCFNNMGX-UHFFFAOYSA-N	230.315	1.756	70	20	BDID	
CCc1ccc(CC(=O)N2CCC[C@H]2CN)cc1	160296180	UUHKAOJGOCPFNW-AWEZNQCLSA-N	246.354	1.741	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(C)on1	160814709	NQFFOMBEYDPAAP-SSDOTTSWSA-N	240.259	1.055	70	20	BDID	
CCOCCNC(=O)[C@H]1CCC[C@H](C)C1	160907461	VBOUZEJXPXRBCJ-QWRGUYRKSA-N	213.321	1.965	70	20	BDID	
C[C@@H](N)C(=O)NC[C@H]1CCc2ccccc21	159728911	YVZHUXYMUXXLFU-MWLCHTKSSA-N	218.300	1.180	70	20	BDID	
CCCNC(=O)CN[C@@H](C)c1cscn1	161141436	BZJZZQRUQXEQGE-QMMMGPOBSA-N	227.333	1.320	70	20	BDID	
c1cnc(NCCCOCC2CC2)cn1	218648975	HQNRNMUIHLNMQL-UHFFFAOYSA-N	207.277	1.705	70	20	BDID	
O=S(=O)(F)c1ccc2oncc2c1	214272884	FYQZWLNGKXYJJU-UHFFFAOYSA-N	201.178	1.486	70	20	BDID	
C[C@@H](N)C(=O)NCC(C)(C)c1cccc(F)c1	161196939	BFICZDSUYDRPAE-SECBINFHSA-N	238.306	1.567	70	20	BDID	
O=C(c1ccccc1OC1CCC1)N1CC(O)C1	161405793	QWICGZRXHYNQSA-UHFFFAOYSA-N	247.294	1.435	70	20	BDID	
CCc1ccccc1C(=O)N1CCN(C)CC1	160073334	UNHNSNFKJJOAJM-UHFFFAOYSA-N	232.327	1.637	70	20	BDID	
CC[C@@]1(C)C[C@@H]1C(=O)N(C)CC(=O)NC(C)C	160112394	BOMHNWMGXAVWNY-MFKMUULPSA-N	240.347	1.406	70	20	BDID	
CN[C@@H]1CCN(C(=O)[C@H](C)c2cccnc2)C1	160531959	VCDWZDBIZFVJMH-ZYHUDNBSSA-N	233.315	1.005	70	20	BDID	
COCC(C)(C)C(=O)N[C@H](C)c1cccnc1	159647292	ZTLBCUYWTKDDBL-SNVBAGLBSA-N	236.315	1.931	70	20	BDID	
CC(C)CC(=O)NC[C@@]1(C)CCCNC1	159966043	PHGPYEUQTBEHQA-LBPRGKRZSA-N	212.337	1.538	70	20	BDID	
Cc1n[nH]cc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	159569015	BEWCGMKGGCIJEE-UPJWGTAASA-N	247.342	1.765	70	20	BDID	
Cc1occc1-c1noc(C2(N)CC2)n1	160400629	JVBAMPRWNZKFAE-UHFFFAOYSA-N	205.217	1.586	70	20	BDID	
CCOC(=O)[C@H]1CCCCN1Cc1cc[nH]n1	161282600	NZIHHCVNPFZKHR-LLVKDONJSA-N	237.303	1.327	70	20	BDID	
CC[C@@H](CSC)Nc1ccnc(N)n1	217570119	LLTWXYKJOVAZRH-ZETCQYMHSA-N	212.322	1.612	70	20	BDID	
CC[C@H](C)[C@H](C)N[C@@H]1CCc2nc(C)nn2C1	160325562	IUSWPTQNMHWZGV-JBLDHEPKSA-N	236.363	1.926	70	20	BDID	
CSCCNC(=O)N[C@H]1CCOC(C)(C)C1	161367217	JOXRIMFKUKOQEN-VIFPVBQESA-N	246.376	1.606	70	20	BDID	
Cn1nccc1C(=O)N1CC[C@@H]2CCCC[C@@H]21	160336909	RMJQICOZFBUORR-QWRGUYRKSA-N	233.315	1.825	70	20	BDID	
CN1CCCC[C@@H]1CNC(=O)N1CCCCC1	160473005	QVTUCNHXGUDEQQ-GFCCVEGCSA-N	239.363	1.666	70	20	BDID	
CC[C@]1(C)C[C@H]1C(=O)NCC(=O)N1CCCC1	160569657	UDVUJCIQSNAZDC-GXFFZTMASA-N	238.331	1.161	70	20	BDID	
CN(C)CC(=O)N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	160600545	AABCADPDKSMKLZ-FPMFFAJLSA-N	230.311	1.003	70	20	BDID	
CC1(C)C(CNC(=O)N[C@H]2CCOC2)C1(C)C	160671365	PTSAHJVJEAPQPI-VIFPVBQESA-N	240.347	1.757	70	20	BDID	
C[C@@H](CO)Sc1nccc(C(F)(F)F)n1	160683930	MYQISAKJUGYZNG-YFKPBYRVSA-N	238.234	1.968	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1ncoc1C	160704020	ZQHQFABFTVYUQH-SSDOTTSWSA-N	240.259	1.055	70	20	BDID	
CCc1cc(NC(=O)CCNC(C)C)n(C)n1	160825692	CPGVIPIOCPCVNH-UHFFFAOYSA-N	238.335	1.309	70	20	BDID	
CC[C@H](N)C(=O)NC[C@@H]1CCc2ccccc21	159730426	UUBJEJFFKYNARC-AAEUAGOBSA-N	232.327	1.570	70	20	BDID	
OCCN[C@H]1CCSc2ccc(F)cc21	159672495	WXLIAYQKNRZHJX-JTQLQIEISA-N	227.304	1.945	70	20	BDID	
C[C@H](N[C@H](C)CCCO)c1cscn1	161222531	BWYOIKVKEKMLKH-BDAKNGLRSA-N	214.334	1.955	70	20	BDID	
COCC(=O)O[C@H](c1ccccn1)C(F)(F)F	160112474	NHZJTKUQJBTJFN-SECBINFHSA-N	249.188	1.875	70	20	BDID	
CC(C)OCC(=O)NC1(C)CCOCC1	159413961	IJTGJBCZSGCQKP-UHFFFAOYSA-N	215.293	1.097	70	20	BDID	
CC(C)[C@H](N)C(=O)NC[C@H]1CCc2ccccc21	159733431	BQGGZGASEQCEFU-OCCSQVGLSA-N	246.354	1.816	70	20	BDID	
Cc1cccc(N(C)C(=O)C(F)(F)F)n1	218768558	RQFJLAMAVNFEKH-UHFFFAOYSA-N	218.178	1.915	70	20	BDID	
Cc1[nH]ncc1C(=O)N[C@H](C)C1CCC1	160203713	UPLZUGMMJOANRW-SSDOTTSWSA-N	207.277	1.637	70	20	BDID	
CCN(CCCO)C(=O)c1ccc(C)s1	160320654	PSJZITZWKIWHQO-UHFFFAOYSA-N	227.329	1.901	70	20	BDID	
CCN(CCCO)C(=O)C[C@@H]1C=CCC1	160301474	UOVGKOCRXOQWDV-LLVKDONJSA-N	211.305	1.574	70	20	BDID	
CCOC(=O)[C@@H](CC)N(CC)CCCO	160727836	JZRLOQMIIWVJFF-SNVBAGLBSA-N	217.309	1.032	70	20	BDID	
O=C(NCc1nccs1)c1ccncc1F	161427509	WPCWWWSSGUQWAL-UHFFFAOYSA-N	237.259	1.607	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)c1ccon1	159591429	JPUGJPBGHAULOQ-IUCAKERBSA-N	208.261	1.983	70	20	BDID	
CCO[C@@H]1C[C@H](NC(=O)CCN)C12CCCC2	161110893	PLGZGJMPOAILRZ-WDEREUQCSA-N	240.347	1.189	70	20	BDID	
CCC[C@H](O)CN[C@@H](C)c1cscn1	161195581	QUUZGBFQRFLOCI-IUCAKERBSA-N	214.334	1.955	70	20	BDID	
CCCCOCC(=O)N1CCC[C@@H]1CNC	161218815	FHTZRVALLQPZIY-LLVKDONJSA-N	228.336	1.014	70	20	BDID	
CONC(=O)NC[C@@H](C)c1ncc(C)s1	159663380	UMIWHWBCIITQPL-ZCFIWIBFSA-N	229.305	1.416	70	20	BDID	
CCCOC[C@@H](C)CS(=O)(=O)Cl	112159729	PNIDOVXIJAIERP-SSDOTTSWSA-N	214.714	1.618	70	20	BDID	
O=C(N[C@@H]1CCC[C@H]1O)c1ccc(F)c(F)c1	161250054	AWXHFYFFWCFWPK-GHMZBOCLSA-N	241.237	1.608	70	20	BDID	
OCCCSCc1nnc2n1CCCC2	217321394	LHMVMYILMJWDDK-UHFFFAOYSA-N	227.333	1.230	70	20	BDID	
COc1cccnc1NCC(C)(C)CO	160255248	CSQFHSFGDDRBTL-UHFFFAOYSA-N	210.277	1.521	70	20	BDID	
CCC(=O)Nc1cccc(S(=O)(=O)F)c1	460087881	BLMCOZLXLMERJF-UHFFFAOYSA-N	231.248	1.693	70	20	BDID	
CN1CCC(N2CCC(F)CC2)CC1	218491384	PDLIPSMEEJWFKV-UHFFFAOYSA-N	200.301	1.515	70	20	BDID	
COC(=O)[C@H](C)SCc1ccnn1C	161330332	BRFHUCMKLAFVMT-ZETCQYMHSA-N	214.290	1.215	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H]1CCCS1	160170792	YKABRAUHDPFEOH-IUCAKERBSA-N	245.344	1.340	70	20	BDID	
Cc1ccc(NC(=O)C[C@H]2COC(=O)C2)c(O)c1	160344909	UTHFSSHGTGGDNP-SECBINFHSA-N	249.266	1.592	70	20	BDID	
O=C1CN(Cc2cccc3[nH]ccc23)CCN1	160513556	QCTVJQJQFFQZHM-UHFFFAOYSA-N	229.283	1.100	70	20	BDID	
O=C(NCCC(F)(F)F)N[C@H]1CCOC1	159416890	KROIFJPTXPIVAX-LURJTMIESA-N	226.198	1.027	70	20	BDID	
CCC[C@H](C(=O)Nc1nnc(C)s1)N(C)C	159613811	FTMWNKOVQGJIAS-MRVPVSSYSA-N	242.348	1.515	70	20	BDID	
CC(=O)c1ccc(C(=O)NCC(C)(C)N)cc1	159928065	LUXRYMQJNMDFSL-UHFFFAOYSA-N	234.299	1.356	70	20	BDID	
CC(C)N(CC(F)(F)F)S(=O)(=O)Cl	105482811	MXWINYKQFJHDAK-UHFFFAOYSA-N	239.646	1.743	70	20	BDID	
CN(C)S(=O)(=O)N1CC[C@@H]2CCCC[C@@H]21	159797854	FVFKGCHHZWRJLK-UWVGGRQHSA-N	232.349	1.057	70	20	BDID	
c1cnc(NCCCOCC2CC2)nc1	218648122	ASJGZLAOQCZILK-UHFFFAOYSA-N	207.277	1.705	70	20	BDID	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCCCO	161172345	BEKPKVFKARMIFI-NXEZZACHSA-N	239.340	1.659	70	20	BDID	
COC(=O)N1CC=C(C(F)(F)F)CC1	160326394	JEQYKBUUISSQRC-UHFFFAOYSA-N	209.167	1.947	70	20	BDID	
c1cnc(N2CCC[C@@H]2CN2CCCCC2)nc1	160427003	SKXKLPZCVXTLLK-CYBMUJFWSA-N	246.358	1.931	70	20	BDID	
CNC(=O)CCCN(C)C(=O)Nc1ccccc1	159705519	WNJPQCGMIDVSTM-UHFFFAOYSA-N	249.314	1.677	70	20	BDID	
CCOCCCN1CCC(NC(C)=O)CC1	159872428	OLELCHBYWRHCKQ-UHFFFAOYSA-N	228.336	1.014	70	20	BDID	
CONC(=O)[C@H]1C[C@@H]1c1sccc1C	160759820	VNKSLUFZTUWFAY-YUMQZZPRSA-N	211.286	1.838	70	20	BDID	
CCSCCN(C)[C@@H]1CCCCNC1=O	160295971	VMSUNYWMYCUMMN-SNVBAGLBSA-N	230.377	1.340	70	20	BDID	
CSCC[C@@H](N)C(=O)N[C@H](C)CC1CC1	159854896	ONDZYEXKYDHLHK-PSASIEDQSA-N	230.377	1.372	70	20	BDID	
C[C@H](N)C(=O)N[C@@H]1c2ccccc2C[C@@H]1C	159881149	JZEDQGPXBHPLOZ-AUTRQRHGSA-N	218.300	1.383	70	20	BDID	
NCC[C@@H]1CCN(C(=O)c2ccco2)C1	159994703	UXPUJODNKYAKTE-SECBINFHSA-N	208.261	1.091	70	20	BDID	
C[C@@H](c1nccs1)S(=O)(=O)Cl	114431332	ULYKNZKMUFFEMF-BYPYZUCNSA-N	211.695	1.773	70	20	BDID	
CN(Cc1cccs1)C(=O)N[C@@H]1CCOC1	159442325	UUGQWLNXRKQZCA-SECBINFHSA-N	240.328	1.678	70	20	BDID	
CCc1nc(S(=O)(=O)Cl)cs1	307227760	FSFYHCYCZQJEEX-UHFFFAOYSA-N	211.695	1.633	70	20	BDID	
CSC[C@](C)(O)CNC(=O)CC(F)(F)F	217706655	IMTGWOYDGXKTNG-SSDOTTSWSA-N	245.266	1.169	70	20	BDID	
CCNC(=S)N1CC[C@H](C)[C@H](C)C1	160869552	PFLRNMVDZHXUQA-DTWKUNHWSA-N	200.351	1.859	70	20	BDID	
CC[C@H](C)OCC(=O)NC[C@@H](OC)C(C)(C)C	159493700	NZYGXDNGBXTQTP-WDEREUQCSA-N	245.363	1.979	70	20	BDID	
C[C@H]1CC[C@@H](CC(=O)N2CCNCC2)C1	159409172	ASVPKYAJKGSERT-WDEREUQCSA-N	210.321	1.245	70	20	BDID	
c1ccc(N2CCC(n3ccnn3)CC2)nc1	160225385	JHNAKVXZAPQOFY-UHFFFAOYSA-N	229.287	1.515	70	20	BDID	
CCCC[C@H](COC)NC(=O)[C@H]1CCCNC1	161166448	XJORTUXKJKUFMM-NWDGAFQWSA-N	242.363	1.307	70	20	BDID	
CC[C@H](O)CCN[C@@H]1CS[C@@H](C)C1	218753701	FCGHCGHXSNPEGX-GUBZILKMSA-N	203.351	1.631	70	20	BDID	
COc1cccc(C(=O)N[C@H]2CCC[C@@H](N)C2)c1	161182007	AOMYLRCZXJNDJU-NEPJUHHUSA-N	248.326	1.695	70	20	BDID	
CC[C@H](COC)N[C@H](CCO)CSC	160387935	DDNHCAIRUGKFCB-NXEZZACHSA-N	221.366	1.115	70	20	BDID	
CC(C)c1nc(CS(=O)(=O)Cl)no1	157452372	PAQPJIYMXALOTJ-UHFFFAOYSA-N	224.669	1.262	70	20	BDID	
Cn1cccc(NC(=O)NC2CC=CC2)c1=O	161136143	FYNSMVXPRPGBHN-UHFFFAOYSA-N	233.271	1.225	70	20	BDID	
C[C@@H]1C[C@@H](C)N(C(=O)N[C@@H]2CCOC2)C1	159449391	UPZGUKRLOBIIOA-OPRDCNLKSA-N	212.293	1.215	70	20	BDID	
C[C@H]1CCCN(C(=O)N[C@H]2CCOC2)C1	159568540	BIFQCWIMYQYEGD-UWVGGRQHSA-N	212.293	1.217	70	20	BDID	
CS[C@H]1CCC[C@@H](NC(=O)[C@@H]2CCNC2)C1	159577687	HBUCTVUYUZAWGP-MXWKQRLJSA-N	242.388	1.386	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCC(=O)NC1	159677968	UCOFWSITNYXNLO-GMTAPVOTSA-N	238.331	1.208	70	20	BDID	
CC(C)NC(=O)CN[C@H](C)c1cscn1	161145021	HYXXTIOXKNUYOX-MRVPVSSYSA-N	227.333	1.318	70	20	BDID	
C[C@@H](CCO)N[C@@H](C)c1cscn1	161205400	AXDCVNDPQHGYDX-YUMQZZPRSA-N	200.307	1.565	70	20	BDID	
O=S(=O)(Cl)N1CCC[C@H]2CCC[C@@H]21	227162786	PVQCIEQTTPSTTO-SFYZADRCSA-N	223.725	1.735	70	20	BDID	
CC(C)CCN(C)C(=O)[C@@H]1CCn2ccnc2C1	159573861	VETFMNJBIOOSQY-GFCCVEGCSA-N	249.358	1.950	70	20	BDID	
CCOCCCN1CCC(N2CCCC2)CC1	160594349	VNZICWMZDSALHS-UHFFFAOYSA-N	240.391	1.973	70	20	BDID	
NC1(CNC(=O)C2CCOCC2)CCCCC1	159457221	JPFCXTRXQNBXGW-UHFFFAOYSA-N	240.347	1.191	70	20	BDID	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCCCO	161172213	BEKPKVFKARMIFI-UWVGGRQHSA-N	239.340	1.659	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccoc1	160430770	RGBQYRRLMKRPQW-MRVPVSSYSA-N	225.244	1.351	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)CN1CCCC1=O	159828492	DTMCIHIKEUVWEG-QWRGUYRKSA-N	238.331	1.304	70	20	BDID	
C[C@@H]1C[C@@H](C)CN(C(=O)N[C@@H]2CCOC2)C1	159568975	MBDMONWYKAPHFG-GMTAPVOTSA-N	226.320	1.463	70	20	BDID	
C[C@@H](CO)CNC(=O)c1ccnc(Cl)c1F	159616594	XJZDNDRUDGLAIN-ZCFIWIBFSA-N	246.669	1.232	70	20	BDID	
O=C(c1ccccc1F)N1C[C@@H]2CCC[C@H](C1)N2	160746961	BFWYKYVDIQMHKW-PHIMTYICSA-N	248.301	1.792	70	20	BDID	
N[C@H]1CCC[C@H](NC(=O)CCc2cccnc2)C1	161238870	OWYBJTVZKQRQDL-STQMWFEESA-N	247.342	1.400	70	20	BDID	
CCO[C@H](c1ccccc1)c1noc(CON)n1	159953075	NNDDTFJPCRCWJA-LLVKDONJSA-N	249.270	1.586	70	20	BDID	
O=C(C1=CCCC1)N1CCOC[C@H]1C1CC1	161299257	VIXGKTBIEZUNKJ-LBPRGKRZSA-N	221.300	1.734	70	20	BDID	
CCN1CCC(NC(=O)C(C)(C)COC)CC1	160338936	FWEWQYAWPGXUJC-UHFFFAOYSA-N	242.363	1.260	70	20	BDID	
CCOCCCC(=O)N[C@@H](C)CC(=O)OCC	160800158	KZHZAUOTXZRKOE-JTQLQIEISA-N	245.319	1.261	70	20	BDID	
O=C(O)[C@@H]1Cc2ccc(S(=O)(=O)F)cc2C1	1887504657	DDEALRZUKKMCDI-MRVPVSSYSA-N	244.243	1.144	70	20	BDID	
CC(C)C(=O)NCCCN[C@H](C)c1ccncc1	159993311	XNWZRXJSULTVBX-GFCCVEGCSA-N	249.358	1.895	70	20	BDID	
CC[C@@H](CCO)NCc1ccnn1CC	160641547	BPKHBCMNHVXKRP-JTQLQIEISA-N	211.309	1.154	70	20	BDID	
Cc1ccsc1CCCC(=O)N[C@H](C)CO	161185891	UGBULGUUVQZJNH-SNVBAGLBSA-N	241.356	1.876	70	20	BDID	
CC[C@H](C)c1cc(C(=O)N(C)[C@H](C)CO)on1	160453665	PYNMQTNQBLKQIP-DTWKUNHWSA-N	240.303	1.641	70	20	BDID	
CC[C@@H](C)OCC(=O)N(C)CC(C)(C)O	159628737	JNMWXGXACWVTKP-SECBINFHSA-N	217.309	1.031	70	20	BDID	
CCOCCN(C)C1(C(=O)OC)CCCC1	159367771	GJASKBAACJRVRN-UHFFFAOYSA-N	229.320	1.441	70	20	BDID	
CCC[C@]1(C)CCCN(C(=O)[C@@H](C)N)C1	160932532	ATGCALRTGNOEKZ-ZYHUDNBSSA-N	212.337	1.762	70	20	BDID	
COC[C@H](C)NC(=S)N1CC[C@@H](C)[C@@H](C)C1	160870009	XNEHOEMBANQVMP-VWYCJHECSA-N	244.404	1.874	70	20	BDID	
COCCNCCNCc1sccc1Cl	161499406	WQQVPQWUDFHWEQ-UHFFFAOYSA-N	248.779	1.727	70	20	BDID	
COC[C@H](C)CNC(=O)c1ccncc1F	161428881	OQRKDLZRSCUOIC-MRVPVSSYSA-N	226.251	1.233	70	20	BDID	
COCCCCN1CC[C@H]([C@@H](C)O)C1	159450947	PAZVTEQNCIZHCO-MNOVXSKESA-N	201.310	1.116	70	20	BDID	
COc1ccnc(NCc2ccncc2)n1	161086827	ZVZGXZJPYHWPFM-UHFFFAOYSA-N	216.244	1.492	70	20	BDID	
C[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCN(C)C2)C1	161309454	QVYPOHXYNLHBPN-FRRDWIJNSA-N	238.375	1.881	70	20	BDID	
Cc1ccc(-c2nnc(NC(=O)[C@@H]3C[C@H]3C)[nH]2)o1	160170145	KDTRSZRUEBYCTJ-HTRCEHHLSA-N	246.270	1.968	70	20	BDID	
Cc1nc(NC(=O)[C@@H]2CCCO2)cc(C2CC2)n1	160286557	WOOCBNHUINYXMN-NSHDSACASA-N	247.298	1.780	70	20	BDID	
COC[C@H](C)C(=O)Nc1cc(C2CC2)nc(C)n1	160317576	ZDWFWHQBWNZMSW-QMMMGPOBSA-N	249.314	1.883	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@H]1C[C@@]1(C)CC	160810604	HTLRHCBDHOGVHO-OPQQBVKSSA-N	241.331	1.881	70	20	BDID	
C[C@H]1Cc2ccccc2N1C(=O)N[C@H]1CCOC1	159465776	UCGYKTJYBVNZLB-JQWIXIFHSA-N	246.310	1.936	70	20	BDID	
CC(=O)N1CC[C@@H](NC(=O)CCC(C)(C)C)C1	159746191	FOGILVGHLWTQEN-LLVKDONJSA-N	240.347	1.550	70	20	BDID	
CN(Cc1nncn1C)C1CCCCC1	160671120	RFDHGTNLUAIRQR-UHFFFAOYSA-N	208.309	1.580	70	20	BDID	
COCCNC(=S)N[C@@H](C)C1CCC1	160038581	HPESWUWMEBWMGD-QMMMGPOBSA-N	216.350	1.286	70	20	BDID	
CC(C)CN(Cc1nncn1C)CC(C)C	160778089	WQZJACVMYNYHRU-UHFFFAOYSA-N	224.352	1.929	70	20	BDID	
O=C(NC1(CO)CCC1)[C@H]1CC=CCC1	161089678	XPYYCVFTXXFNBE-JTQLQIEISA-N	209.289	1.374	70	20	BDID	
O=S(=O)(F)CCn1cnc(Cl)c1Cl	883953785	KTPYVOROLXRPCB-UHFFFAOYSA-N	247.078	1.489	70	20	BDID	
Cc1nc(CCNCc2cnc[nH]2)cs1	218098455	PVHFNGFUXDSGLG-UHFFFAOYSA-N	222.317	1.507	70	20	BDID	
CCC[C@@H]1NC(=O)N(Cc2nccs2)C1=O	161187376	KVPATFFTAHHIRH-ZETCQYMHSA-N	239.300	1.364	70	20	BDID	
CCOC(=O)CSCc1ccnn1C	161204705	JNZTWNRDCBPMTF-UHFFFAOYSA-N	214.290	1.216	70	20	BDID	
Cc1nc2n(n1)C[C@@H](N[C@H](C)c1ccco1)CC2	160483419	SWMZUMUJENZYQP-KOLCDFICSA-N	246.314	1.845	70	20	BDID	
CCCc1cc(C(=O)NC[C@@H]2CCOC2)no1	218586187	XGOYROJGGRVJTR-VIFPVBQESA-N	238.287	1.393	70	20	BDID	
C[C@@H]1NCCC[C@@H]1NC(=O)c1ccoc1	160539685	HJEVWMUPPVELBZ-WPRPVWTQSA-N	208.261	1.150	70	20	BDID	
O=S(=O)(Cl)c1c(F)ccc(F)c1O	104536804	LGQBWHWCNMNFRS-UHFFFAOYSA-N	228.603	1.598	70	20	BDID	
O=C(N[C@H]1CCC[C@@H]1O)c1cc2ccccn2c1	161178239	VVELMDVTQJEZIE-STQMWFEESA-N	244.294	1.583	70	20	BDID	
COC[C@@H](O)CCNC(=O)CCCC(C)(C)C	161294376	GSAQIZXDBQTRTG-NSHDSACASA-N	245.363	1.716	70	20	BDID	
CC(C)CCO[C@H](C)C(=O)N1CCC[C@H]1CN	160287210	TVTMPXATASZSOW-NEPJUHHUSA-N	242.363	1.387	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)C(C)C	160434452	IJCPVHHDKBOVNH-MRVPVSSYSA-N	201.266	1.100	70	20	BDID	
CCCNC(=O)CCNC(=O)C[C@@H](C)SC	160705755	VIUKXXIXPPIXKM-SECBINFHSA-N	246.376	1.161	70	20	BDID	
CN(C)c1ccc(C(=O)NCC(F)F)c(F)c1	159420849	ANYFEINEHNFRMI-UHFFFAOYSA-N	246.232	1.887	70	20	BDID	
C[C@H](N)C(=O)NC[C@H]1CCc2ccccc21	159727024	YVZHUXYMUXXLFU-GXSJLCMTSA-N	218.300	1.180	70	20	BDID	
C[C@H](Cn1cccn1)NCC[C@H]1CCCCO1	159523957	VUSACRLUMBWQCP-CHWSQXEVSA-N	237.347	1.820	70	20	BDID	
CCOCCCN1CCC[C@@H](OC)C1	160441150	OXZFACZDVVIILY-LLVKDONJSA-N	201.310	1.524	70	20	BDID	
CCC1(O)CN(C(=O)/C=C\c2ccc(O)cc2)C1	217467138	DCTMXPLPSWPRER-YVMONPNESA-N	247.294	1.389	70	20	BDID	
CCCS(=O)(=O)NCC1(C2CC2)CC1	160206073	DSMKEIYXZLTRPJ-UHFFFAOYSA-N	217.334	1.506	70	20	BDID	
COc1cccnc1NC[C@@H](C)CCO	160247878	KMXMFYBNIQBZEX-VIFPVBQESA-N	210.277	1.521	70	20	BDID	
CN(CCOCC1CC1)[C@@H]1CCCCNC1=O	160294840	WOKMAIQNBYJLBM-GFCCVEGCSA-N	240.347	1.014	70	20	BDID	
C[C@@H]1C[C@H]1C(=O)N(C)Cc1cccn1C	160508294	AJYZNEVCXMHIJU-MWLCHTKSSA-N	206.289	1.640	70	20	BDID	
CC[C@H](Cc1ccc(C)cc1)NCCN	218286977	HKSOTLKGTUGERG-CYBMUJFWSA-N	206.333	1.864	70	20	BDID	
COC(=O)CN(C)C[C@@H]1CCC(C)(C)O1	159602842	IRTPIGYHRKWIPZ-VIFPVBQESA-N	215.293	1.049	70	20	BDID	
O=S(=O)(F)CCCOCc1ccccc1	238850422	BMVOKUSPEKRKAG-UHFFFAOYSA-N	232.276	1.893	70	20	BDID	
CCc1c[nH]c(SCCn2ccnc2)n1	160178172	LVTQBWDZLHHFRJ-UHFFFAOYSA-N	222.317	1.961	70	20	BDID	
C[C@@H](NC(=O)N[C@@H]1CCOC1)C1CCC1	160200090	IWGYBBKFYJDCKU-PSASIEDQSA-N	212.293	1.263	70	20	BDID	
C[C@@H](C(=O)N1CCC[C@@H]1CN)c1cccs1	160218094	KQENKBFPZBAIQM-NXEZZACHSA-N	238.356	1.801	70	20	BDID	
CCCCO[C@H](C)C(=O)N[C@@H](CCO)C(C)C	160652651	KDPPKRIUJRSVGS-NEPJUHHUSA-N	245.363	1.715	70	20	BDID	
O=S(=O)(Cl)CCCCO[C@H]1CCOC1	114258416	KNPNBTGBPZSCSA-QMMMGPOBSA-N	242.724	1.141	70	20	BDID	
CCCNCC(CC)(CC)C(=O)OC	159686409	LDOFHWKOVIGILT-UHFFFAOYSA-N	201.310	1.965	70	20	BDID	
Cc1nc(Cl)ccc1C(=O)N(C)C[C@@H](C)O	160093441	DCKKCLGORNZPFC-SSDOTTSWSA-N	242.706	1.496	70	20	BDID	
C[C@H]1NCCC[C@@H]1NC(=O)c1ccsc1	160542355	FFKLHCWXTAYQDV-SCZZXKLOSA-N	224.329	1.618	70	20	BDID	
C[C@]1(O)CCCN(C(=O)c2ccc[nH]2)C1	161033815	BJGNPHJLDUWEIH-NSHDSACASA-N	208.261	1.002	70	20	BDID	
CCOCC(=O)N(C)c1ccc(OC)c(F)c1	159601615	ZOWCRTOKWJCMRI-UHFFFAOYSA-N	241.262	1.834	70	20	BDID	
CSC[C@](C)(O)CNC(=O)c1ccoc1	217650725	BXQMPGVYJMYKFD-SNVBAGLBSA-N	229.301	1.123	70	20	BDID	
C[C@H]1COC[C@@H](C)N1Cc1cnc2ccccn12	160572041	HTGNXJXTXKXGEW-TXEJJXNPSA-N	245.326	1.944	70	20	BDID	
CCCC(C)(C)NC(=O)N[C@@H]1CCOC1	159555852	RTBCCWNNACFJSR-SECBINFHSA-N	214.309	1.653	70	20	BDID	
C[C@H](O)CNC(=O)NCCC1CCCCC1	217305131	VXDXVBPMBHDHRF-JTQLQIEISA-N	228.336	1.637	70	20	BDID	
C[C@@]1(O)CCCN(c2ncc(Cl)cn2)C1	160839866	SRHCVJWQZIPKME-SNVBAGLBSA-N	227.695	1.481	70	20	BDID	
O=S(=O)(Cl)c1ccn2nccc2c1	221935853	BLLVNFOFHCWKGU-UHFFFAOYSA-N	216.649	1.262	70	20	BDID	
COc1ccc(CS(=O)(=O)Cl)cc1C#N	114554192	MXVHIOPBVARYPS-UHFFFAOYSA-N	245.687	1.635	70	20	BDID	
CCc1ncnc(NCC(C)(C)O)c1F	218005060	AWEQLRMMEVFOOP-UHFFFAOYSA-N	213.256	1.361	70	20	BDID	
CCC(C)(CC)C(=O)NCCn1ccnn1	159467440	RFPPFTVZHVCBPN-UHFFFAOYSA-N	224.308	1.221	70	20	BDID	
Cc1ccc(CN2CCC(CC(N)=O)CC2)o1	159749580	KZAAQSCXUXRBDF-UHFFFAOYSA-N	236.315	1.675	70	20	BDID	
OC[C@H]1CCCN(CCCN2CCCCC2)C1	161253359	YCETYMZPKLDFIP-AWEZNQCLSA-N	240.391	1.567	70	20	BDID	
CC[C@@H](O)CNC(=O)Cc1ccccc1	159707847	JZMNHMSWLMWNMW-LLVKDONJSA-N	207.273	1.116	70	20	BDID	
C[C@](CO)(NCC(F)F)c1ccccc1	161183591	MSNBIDOREIIMNS-LLVKDONJSA-N	215.243	1.749	70	20	BDID	
CSC[C@@](C)(O)CNC(=O)C=C(C)C	217656012	KEYJADKXOKITAC-JTQLQIEISA-N	217.334	1.183	70	20	BDID	
NC(=O)NCc1ccccc1OCC1CC1	160816944	NGIKWNOELYCHPO-UHFFFAOYSA-N	220.272	1.644	70	20	BDID	
Cc1nccn1CCCN(C)C(=O)NC(C)C	160899769	GDOOVJKKXIWOCJ-UHFFFAOYSA-N	238.335	1.631	70	20	BDID	
C[C@H]1CC[C@H](CC(=O)N2CCNCC2)C1	159408894	ASVPKYAJKGSERT-QWRGUYRKSA-N	210.321	1.245	70	20	BDID	
CC[C@]1(C)C[C@@H]1C(=O)N1CCC[C@@H]1CN	160265654	QCWAWOSRKTWBSO-CKYFFXLPSA-N	210.321	1.372	70	20	BDID	
CC(C)c1cc(NC(=O)c2ccn(C)n2)[nH]n1	218197734	KAWQJCOECBRZPN-UHFFFAOYSA-N	233.275	1.519	70	20	BDID	
Cc1cccc(C(=O)O)c1S(=O)(=O)Cl	103658258	BVYUGAYNRYPWOK-UHFFFAOYSA-N	234.660	1.621	70	20	BDID	
CC[C@@H]1CC[C@@H](C)N(S(=O)(=O)Cl)C1	306786397	KTTLSXZZYKOICY-HTQZYQBOSA-N	225.741	1.981	70	20	BDID	
Cc1ccc(CN(C)[C@@H]2CCOC2)nc1	160065657	ZDYYXLVFFXMJIV-GFCCVEGCSA-N	206.289	1.611	70	20	BDID	
CC(C)N1CCC[C@@H](c2nnc3n2CCC3)C1	161404253	DACSXFIENSLDQS-LLVKDONJSA-N	234.347	1.812	70	20	BDID	
CC1CCN(C(=O)N2C[C@H](C)OC[C@@H]2C)CC1	160359973	RVOZQNYJNBOVIY-RYUDHWBXSA-N	240.347	1.948	70	20	BDID	
COC(=O)[C@@H](C)NCc1ccncc1C	160602353	DXZQEZLBWIUNQA-SECBINFHSA-N	208.261	1.041	70	20	BDID	
CCO[C@H](C)C(=O)NCCc1cccc(O)c1	160180229	ZGSSZYHEDVHCJB-SNVBAGLBSA-N	237.299	1.476	70	20	BDID	
C[C@@H]1CCN(C(=O)N[C@@H]2CCOC2)C[C@@H]1C	160865692	QGGNFIAISCIBKV-OUAUKWLOSA-N	226.320	1.463	70	20	BDID	
O=C(c1cnc(C(F)(F)F)nc1)N1CCCC1	159735960	UUGFJKLBZVUAOW-UHFFFAOYSA-N	245.204	1.731	70	20	BDID	
CCC[C@@H](CC)NC(=O)N[C@@H]1CCOC1	159396021	KVNXRJRKLSMUDO-NXEZZACHSA-N	214.309	1.653	70	20	BDID	
CCn1cc(C(=O)Nc2c[nH]c(=O)c(C)c2)cn1	159564751	YWLPUVRJVURFRQ-UHFFFAOYSA-N	246.270	1.152	70	20	BDID	
C[C@@H]1CCc2c(sc(=O)n2CCO)C1	160001529	ZVCDRVYKDQZZPX-SSDOTTSWSA-N	213.302	1.027	70	20	BDID	
NC1(CNC(=O)CC2CC2)CCCCC1	159698042	GKXKVVNAJYHAIB-UHFFFAOYSA-N	210.321	1.564	70	20	BDID	
CC(C)C[C@H]1CCCN1Cc1nncn1C	160886525	DPCKEXQSYWMTIM-LLVKDONJSA-N	222.336	1.826	70	20	BDID	
CCn1cnnc1CNCc1nccs1	218111111	ZHCJXQVPWMCOGK-UHFFFAOYSA-N	223.305	1.044	70	20	BDID	
O=S(=O)(Cl)N1CCC[C@@H]2CCC[C@H]21	114450191	PVQCIEQTTPSTTO-JGVFFNPUSA-N	223.725	1.735	70	20	BDID	
C[C@H]1C[C@H](C)CN(CCS(=O)(=O)Cl)C1	306673236	NAYRJCCOYGWPOU-IUCAKERBSA-N	239.768	1.533	70	20	BDID	
O=S1(=O)CCC2=C1SC=C[C@H]2Cl	150267300	XSBSOCQQGZJHIY-ZCFIWIBFSA-N	222.718	1.884	70	20	BDID	
Cn1c(N)nnc1S[C@H]1C=CCCC1	161157208	SCLKWCSPCVHAMP-ZETCQYMHSA-N	210.306	1.598	70	20	BDID	
CCCN(CCO)Cc1ccc(N(C)C)nc1	161231954	GXJNUIRRLQZIMM-UHFFFAOYSA-N	237.347	1.352	70	20	BDID	
COCCS(=O)(=O)N1CC[C@H](C)C[C@@H](C)C1	159688619	RERFWZXNXNSTGB-WDEREUQCSA-N	249.376	1.331	70	20	BDID	
CN(Cc1ccccc1)Cc1nncn1C	160669745	DPZGYWFKGFWYQU-UHFFFAOYSA-N	216.288	1.447	70	20	BDID	
COC[C@@H](NCCCN1CCCC1=O)C(C)C	159554367	SLJVYQFHHGXGEK-GFCCVEGCSA-N	242.363	1.260	70	20	BDID	
CCN(C)C(=O)c1ccc(CN(C)C)cc1	159920657	CLFGIGXIACACJW-UHFFFAOYSA-N	220.316	1.840	70	20	BDID	
Cc1cc(C)n(CCCNC(=O)C(F)F)n1	217594539	BSCBXJJAYUWLFU-UHFFFAOYSA-N	231.246	1.271	70	20	BDID	
CC[C@H](N[C@H]1CCc2nc(C)nn2C1)C1CC1	160542822	IRDMABGGDRSOGE-RYUDHWBXSA-N	234.347	1.680	70	20	BDID	
CS[C@@H](C)CC(=O)Nc1nnc(C)s1	160677265	HSYHVILACCMWPP-YFKPBYRVSA-N	231.346	1.927	70	20	BDID	
CC[C@H](C)[C@@H](N)C(=O)Nc1ccccn1	160792270	HNXZFWRQOSNHPI-WCBMZHEXSA-N	207.277	1.394	70	20	BDID	
CCCC1(CNC(=O)CNC(=O)OC)CC1	160820838	FJLABGKIPAAPPC-UHFFFAOYSA-N	228.292	1.039	70	20	BDID	
Cc1nn2cccnc2c1C(=O)NC1CC=CC1	160907249	AWKHKBGEHQQLSX-UHFFFAOYSA-N	242.282	1.486	70	20	BDID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCC1CC1	159627418	SZAUOTBSBUQYFQ-KCJUWKMLSA-N	209.289	1.518	70	20	BDID	
CC[C@@H](CCO)NC(=O)CSC(C)C	160138237	HJBNDGOZPDJUSC-VIFPVBQESA-N	219.350	1.405	70	20	BDID	
C[C@@H]1CC[C@H](CNCCNC(C)(C)C)O1	161463347	IHUSPFLEYBBVAY-GHMZBOCLSA-N	214.353	1.532	70	20	BDID	
CCc1nc(CN[C@@H](C)[C@@H](C)CC)n[nH]1	160453973	YCRUXUQLWCNSHX-IUCAKERBSA-N	210.325	1.891	70	20	BDID	
C[C@]1(O)CCCN(CC2(O)CCCC2)C1	161000501	FDNBWBSRKLHGSG-NSHDSACASA-N	213.321	1.138	70	20	BDID	
O=C(NCC1(C2CC2)CC1)[C@@H]1CCOC1	160199372	PDGXMCUINUAMQK-SECBINFHSA-N	209.289	1.329	70	20	BDID	
CNC(=S)N[C@@H]1CCOC(C)(C)C1	159748690	VVAYJYXTBRPFSX-SSDOTTSWSA-N	202.323	1.038	70	20	BDID	
COc1ccc(/C=C\C(=O)NCC[C@H](C)O)cc1	217775506	UWXDIRGCRVEWOX-OFSNVTPPSA-N	249.310	1.596	70	20	BDID	
CCN(CCCO)C(=O)c1ccc(C)o1	160316624	YGFXXGSANZAXLE-UHFFFAOYSA-N	211.261	1.433	70	20	BDID	
C[C@H](N[C@@H]1CCCOCC1)[C@H]1CCOC1	161458516	KQYUSPOCMKYLJE-SDDRHHMPSA-N	213.321	1.570	70	20	BDID	
CC(C)(C)c1ccn(CCS(=O)(=O)F)n1	883953726	ILBUCKWVNNPDID-UHFFFAOYSA-N	234.296	1.480	70	20	BDID	
Cc1ccccc1C[C@H](C)NC[C@@H](C)N	218299495	DWOWGYPWDJOTOI-NEPJUHHUSA-N	206.333	1.863	70	20	BDID	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NCC(N)=O)C2	218600701	NGDLQKFOTVUSIB-AUTRQRHGSA-N	210.321	1.276	70	20	BDID	
CC[C@@H]1CCCN(S(=O)(=O)Cl)CC1	112479960	QTGKDRIBCNKETL-MRVPVSSYSA-N	225.741	1.982	70	20	BDID	
CCn1c(C2CCC2)nnc1S(=O)(=O)Cl	227586405	IJCMXBCCCCWZST-UHFFFAOYSA-N	249.723	1.493	70	20	BDID	
Nc1c(N2CCCCC2)ncnc1-n1cccn1	159810046	QZINSIYCFIHYLT-UHFFFAOYSA-N	244.302	1.235	70	20	BDID	
O=C(N[C@@H]1CCC[C@@H]1CO)c1cncs1	217906525	IYDWKGKTIIFZBA-HTQZYQBOSA-N	226.301	1.034	70	20	BDID	
CC[C@H](CCO)NC(=O)CCC(F)(F)F	160115394	LDSGEBNMZKGKNB-SSDOTTSWSA-N	227.226	1.606	70	20	BDID	
COC[C@H](C)NC(=S)N1CC[C@H](C)[C@H](C)C1	160870417	XNEHOEMBANQVMP-AXFHLTTASA-N	244.404	1.874	70	20	BDID	
CC(C)SCC(=O)N1CCC[C@](C)(O)C1	161025104	RAIVVBXCPRSWSZ-NSHDSACASA-N	231.361	1.501	70	20	BDID	
CSCC[C@H](N)c1nc([C@@H]2C[C@@H]2C)no1	161006892	JCHMPNNLDALSCY-RNJXMRFFSA-N	227.333	1.946	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@@H](C)C1CC1	160389173	OSMFTGFPLDHEMO-IUCAKERBSA-N	227.304	1.490	70	20	BDID	
CCCSCC(=O)N[C@H](C)CC(=O)OCC	160519260	MVOUHHGFKOZXCC-SECBINFHSA-N	247.360	1.588	70	20	BDID	
CC(C)C[C@@H](C)NC(=O)NCCC(=O)N(C)C	159644537	NLZKXWXXPOVQRA-SNVBAGLBSA-N	243.351	1.199	70	20	BDID	
CCC[C@@H](C)N1CCC(OCCO)CC1	218595889	MDJMSATXMBAFJO-LLVKDONJSA-N	215.337	1.648	70	20	BDID	
CCC(CC)CNC(=O)N1CCN(CC)CC1	160550007	NEDMZEZNMZRIEL-UHFFFAOYSA-N	241.379	1.770	70	20	BDID	
CC[C@H](CCO)NC(=O)CSC(C)C	160138369	HJBNDGOZPDJUSC-SECBINFHSA-N	219.350	1.405	70	20	BDID	
Cn1c(C(C)(C)C)nnc1S(=O)(=O)Cl	227588527	FAMFSFGJHZLGPZ-UHFFFAOYSA-N	237.712	1.040	70	20	BDID	
COc1cc(CS(=O)(=O)Cl)ccc1C#N	234887311	BORKDPNITVLRFL-UHFFFAOYSA-N	245.687	1.635	70	20	BDID	
COCCNC(=O)N1CCCC[C@@H](SC)C1	161132380	IHQNXLHRXAHYTK-SNVBAGLBSA-N	246.376	1.560	70	20	BDID	
CCCCN(C)CCNC(=O)NC1(C)CCC1	161201832	DYZMCXXVNVZIBO-UHFFFAOYSA-N	241.379	1.960	70	20	BDID	
COCCCCNC(=O)C[C@@H](C)SC	159408445	BHNYRSYZRPERJP-SECBINFHSA-N	219.350	1.671	70	20	BDID	
COc1cccnc1N[C@H](C)CCCO	159483903	DSUNDOGUJVSQIF-SECBINFHSA-N	210.277	1.663	70	20	BDID	
CCCCc1noc([C@H](C)N(C)C[C@@H](C)O)n1	159563628	OETGGEOAHLYSSX-ZJUUUORDSA-N	241.335	1.786	70	20	BDID	
CS[C@@H](C)CNC(=S)NC1CC1	159576399	ZRIWQSGXOVWAFM-LURJTMIESA-N	204.364	1.364	70	20	BDID	
CCC(C)(C)C(=O)N1CC[C@H](CCN)C1	160000239	MOAJDZCFWWZKPE-JTQLQIEISA-N	212.337	1.620	70	20	BDID	
COC(=O)c1ccc(S(=O)(=O)F)cc1C	238853785	LBERGGMKBZOFDP-UHFFFAOYSA-N	232.232	1.440	70	20	BDID	
O=C(NCCCOCC1CC1)[C@H]1CCCCO1	161205695	MWSHJTBQRAQKOA-GFCCVEGCSA-N	241.331	1.488	70	20	BDID	
CN(CCCn1ccnc1)C(=O)C(C)(C)F	160615505	MIFJCJUQKYIAQA-UHFFFAOYSA-N	227.283	1.480	70	20	BDID	
CC(=O)NCCCCCC(=O)NC1CC=CC1	160874653	XABDCIXOUGQGJK-UHFFFAOYSA-N	238.331	1.518	70	20	BDID	
CCN(CCC(=O)OC)c1ncc(Cl)cn1	160249104	JGGFAYAQFZFYDF-UHFFFAOYSA-N	243.694	1.519	70	20	BDID	
CCN(CCCO)C(=O)Cc1ccsc1	160312094	IYDHNYXPGCQYBI-UHFFFAOYSA-N	227.329	1.522	70	20	BDID	
CCOCC(=O)Nc1ccc(F)c(OC)c1	160558140	QGBWDMYVKWAXLZ-UHFFFAOYSA-N	227.235	1.809	70	20	BDID	
CO[C@@H]1CCC[C@@H](S(=O)(=O)Cl)C1	157451106	HWAUOHSZLJFCHX-RNFRBKRXSA-N	212.698	1.513	70	20	BDID	
CC[C@@H](C)[C@@H](C)NC(=O)c1cccnc1O	161064181	UFWWZPSPSMUCIO-RKDXNWHRSA-N	222.288	1.952	70	20	BDID	
COC[C@@H](O)CCNC(=O)C[C@H](C)CC(C)C	161149391	HEJXEBHUEHTUTM-NEPJUHHUSA-N	245.363	1.572	70	20	BDID	
CC(C)(C)ONC(=O)c1cncc(F)c1	161157960	LPDVDEXIWJXBBM-UHFFFAOYSA-N	212.224	1.681	70	20	BDID	
CN(CCCCS(C)(=O)=O)Cc1ccco1	161193948	OAYHVPBAIPWOMP-UHFFFAOYSA-N	245.344	1.536	70	20	BDID	
CC1(C)CCC(CN2CCNC(=O)C2)CC1	160498031	RSNGAXIPJVCZOB-UHFFFAOYSA-N	224.348	1.635	70	20	BDID	
O=C(CC1CCCC1)NC1(CO)CCC1	161117582	ZXJPXXBDULONDW-UHFFFAOYSA-N	211.305	1.598	70	20	BDID	
Cn1cnc(CNC(=S)Nc2ccccc2)n1	218737438	NJMYFQSJHLEBTB-UHFFFAOYSA-N	247.327	1.302	70	20	BDID	
COC[C@@H](NC(=O)C(C)(C)COC)C1CC1	161286691	CESGFJHAKKUBGO-SNVBAGLBSA-N	229.320	1.200	70	20	BDID	
Cc1cc(C(=O)Nc2ccnn2C(C)C)ncn1	161297501	WYLUSYNYLKRVRF-UHFFFAOYSA-N	245.286	1.815	70	20	BDID	
Cc1ccc(CCC(=O)N2CC(O)C2)c(C)c1	161437624	JXXXLRHDUZXZNK-UHFFFAOYSA-N	233.311	1.439	70	20	BDID	
CC[C@H](C)CN(CC)C(=O)N[C@@H]1CCOC1	159544194	SGKWVCDHKQZESR-WDEREUQCSA-N	228.336	1.853	70	20	BDID	
CCOCCCN1CCC[C@H](CNC(C)=O)C1	159731563	INXWCWMAFUUIMR-CYBMUJFWSA-N	242.363	1.261	70	20	BDID	
Cc1cc(NC(=O)[C@@H]2CCCOC2)c[nH]c1=O	159792792	VNQPREQPRVGZTH-SECBINFHSA-N	236.271	1.048	70	20	BDID	
CSC[C@@H](C)NCc1cn(C)nc1C	160151722	MBMNDNVXBUGQRP-MRVPVSSYSA-N	213.350	1.570	70	20	BDID	
CCN(CCCO)C(=O)C(C)(C)CC	160290844	SMUPRISOYZOWEO-UHFFFAOYSA-N	201.310	1.654	70	20	BDID	
CCC[C@@H](C)C(=O)NC1(C)CCNCC1	160572297	WRAXLWNGAYNLMN-SNVBAGLBSA-N	212.337	1.681	70	20	BDID	
CCN(Cc1nncn1C)c1ccc(F)cc1	160821500	IIQBGRXDPZBKGR-UHFFFAOYSA-N	234.278	1.981	70	20	BDID	
CCN1CCCC[C@@H]1CN[C@@H](C)[C@@H]1CCOC1	161169235	UHKLYHBGMVKXRD-BFHYXJOUSA-N	240.391	1.875	70	20	BDID	
CC[C@H](N)C(=O)NC[C@H](C)c1ccc(C)cc1	161169758	LWTGNQCPZHLFBC-AAEUAGOBSA-N	234.343	1.952	70	20	BDID	
CC(=O)Nc1cccc(C(=O)NCC(C)(C)N)c1	160011789	LZAIDISPOHWTFG-UHFFFAOYSA-N	249.314	1.112	70	20	BDID	
Cc1[nH]ccc1C(=O)N[C@@H]1CCC[C@@H](N)C1	160799242	NSJAXQRXYXPODV-NXEZZACHSA-N	221.304	1.323	70	20	BDID	
O=c1c2ccccc2nnn1CC(F)F	159626744	VLTBVCRPJIJVDZ-UHFFFAOYSA-N	211.171	1.057	70	20	BDID	
O=S(=O)(Cl)Cc1ccnc(Cl)c1	103595385	SUPWQZXSOVSBFA-UHFFFAOYSA-N	226.084	1.804	70	20	BDID	
CC1(C)C[C@H](NC(=O)NC2CCC2)CCO1	159891524	VVXNETNAZXUCMT-SNVBAGLBSA-N	226.320	1.796	70	20	BDID	
CN(Cc1ccccn1)[C@@H]1CCCCNC1=O	160295732	ZLNHISFOGSTROD-GFCCVEGCSA-N	233.315	1.182	70	20	BDID	
NC(=O)[C@H](NC1CC=CC1)c1ccc(F)cc1	160893266	XCBJDTMQXUIQQI-GFCCVEGCSA-N	234.274	1.660	70	20	BDID	
CCS[C@H]1CCCCN(C(=O)[C@@H](C)N)C1	159764876	ZYDIHBBCLBMWKD-ZJUUUORDSA-N	230.377	1.468	70	20	BDID	
CCN(Cc1cccs1)Cc1nncn1C	160705343	UMSPPPGRUQKWHM-UHFFFAOYSA-N	236.344	1.899	70	20	BDID	
Oc1cc(F)cc(CNCC(F)F)c1	159609804	WBVPBQWEFMSFDU-UHFFFAOYSA-N	205.179	1.886	70	20	BDID	
NCC[C@@H]1CCN(C(=O)c2ccoc2)C1	159996003	YLGLHCIOTPQCMS-SECBINFHSA-N	208.261	1.091	70	20	BDID	
CCCC(=O)NCCCC(C)(C)CO	160369024	DGTJYOHOJDOQMG-UHFFFAOYSA-N	201.310	1.701	70	20	BDID	
c1cc(CSCCN2CCOCC2)no1	159790888	DGIYUJVYWOUZPZ-UHFFFAOYSA-N	228.317	1.240	70	20	BDID	
COCC[C@@H](C)NC(=O)c1ccc(O)nc1C	161110404	MJTKETZFPFHRLL-MRVPVSSYSA-N	238.287	1.250	70	20	BDID	
C[C@@H](CO)N(C)C(=O)CO[C@H]1CCCC[C@H]1C	160370887	FLJWYRWJLFDNTF-WOPDTQHZSA-N	243.347	1.421	70	20	BDID	
CC[C@H](C)CS(=O)(=O)N(C)c1cnn(C)c1	160838071	OLQUFRCCICCTNB-VIFPVBQESA-N	245.348	1.232	70	20	BDID	
CCN1CCCN(C(=O)NCCC2CC2)CC1	159922981	MFPGWTXEHLVYIT-UHFFFAOYSA-N	239.363	1.524	70	20	BDID	
C[C@@H]1COC[C@@H](C)N1C(=O)c1ccc(N)cc1	160520244	YFVOJBLRLCBBTR-NXEZZACHSA-N	234.299	1.518	70	20	BDID	
C[C@H](CCN)NC(=O)C1[C@H]2CCCC[C@H]12	161446517	HLICUDNNDCDRJE-UTLUCORTSA-N	210.321	1.276	70	20	BDID	
c1csc(CSCCN2CCOCC2)n1	160004408	MGDCYQLRYOPCNT-UHFFFAOYSA-N	244.385	1.709	70	20	BDID	
COc1cccnc1NC[C@H](C)N(C)C	160213829	UTBKRQQTHJVTNT-VIFPVBQESA-N	209.293	1.452	70	20	BDID	
CC[C@@H](N[C@@H]1CCc2nc(C)nn2C1)C(C)C	160482383	BNBUMHJJWKOIDX-VXGBXAGGSA-N	236.363	1.926	70	20	BDID	
CN(Cc1cccn1C)C(=O)C1(C)CC1	160506335	JRJOLUXSBSFJND-UHFFFAOYSA-N	206.289	1.784	70	20	BDID	
Cc1nc(C)c(C(=O)N(C)Cc2cccn2C)o1	160912184	DZESAGLRRAPJOJ-UHFFFAOYSA-N	247.298	1.902	70	20	BDID	
COCC(C)(C)C(=O)N1CCC[C@H]([C@H](C)O)C1	160963942	LKTFWUFJOLQWBD-QWRGUYRKSA-N	243.347	1.278	70	20	BDID	
CC[C@H](C)N(C)C(=O)N[C@@H]1CCOC1	159545280	YVMLQWWQXKHLJH-DTWKUNHWSA-N	200.282	1.215	70	20	BDID	
CCC[C@H](C)N(C)C(=O)N[C@H]1CCOC1	159554582	JDZOXJBZMNBZSY-UWVGGRQHSA-N	214.309	1.605	70	20	BDID	
CCCOCC(=O)Nc1c[nH]c(=O)c(C)c1	159773681	IZBUZAYZEYMJRC-UHFFFAOYSA-N	224.260	1.048	70	20	BDID	
C[C@@H](O)CC(C)(C)CNC(=O)C[C@H]1CCCN1	160950931	YFZSOLUCQXWPQD-GHMZBOCLSA-N	242.363	1.042	70	20	BDID	
COC[C@@H]1CCCN(CCn2ccnc2)C1	159821542	FFXHMJWWBPXLTR-GFCCVEGCSA-N	223.320	1.242	70	20	BDID	
CCCCNC(=O)N1CCN([C@@H](C)CC)CC1	160517853	BDDODDPMQKWXJV-LBPRGKRZSA-N	241.379	1.912	70	20	BDID	
CCN(CCO)Cc1ccc(F)cc1C	161228814	ZOICLTIZJXLEIE-UHFFFAOYSA-N	211.280	1.948	70	20	BDID	
CC1(C)C[C@H]1C(=O)NCCn1cccn1	161021573	DKFSADGMSLQGTA-VIFPVBQESA-N	207.277	1.045	70	20	BDID	
COCC(=O)N(C)c1ccc2c(c1)OCO2	160189424	LQACAUZYJJVIDX-UHFFFAOYSA-N	223.228	1.025	70	20	BDID	
Cc1cnc(NC(=O)c2cccc(=O)n2C)s1	160253597	FGOZRJCLUFDHFR-UHFFFAOYSA-N	249.295	1.403	70	20	BDID	
CC[C@H]1CC[C@H](C)N(S(=O)(=O)Cl)C1	306786401	KTTLSXZZYKOICY-YUMQZZPRSA-N	225.741	1.981	70	20	BDID	
CN(Cc1ccon1)C[C@H]1CCC[C@@H]1O	159686923	XNPKIALWEKPFIC-KOLCDFICSA-N	210.277	1.267	70	20	BDID	
CCC[C@H](S[C@H](C)CO)C(=O)OCC	160729578	ZKEQMSFBZLULIQ-BDAKNGLRSA-N	220.334	1.832	70	20	BDID	
CC(C)[C@@](C)(F)CS(=O)(=O)Cl	1537958628	HOCHGLGHJISWKZ-LURJTMIESA-N	202.678	1.939	70	20	BDID	
COCCCCCNCc1cncn1C	218169721	YZBMYLJXIKRFLE-UHFFFAOYSA-N	211.309	1.326	70	20	BDID	
CCCC(O)(CCC)CC(=O)N(C)CCOC	160199285	JPQIFEYJVSIWII-UHFFFAOYSA-N	245.363	1.813	70	20	BDID	
C[C@@H]1OCC[C@@H]1SCCn1ccnc1	160332485	NYKSXYMIMIXDAY-UWVGGRQHSA-N	212.318	1.794	70	20	BDID	
CC[C@H](C)N(C)c1cc(COC)nc2ncnn12	160441475	BJPNNCCWFYYCQZ-VIFPVBQESA-N	249.318	1.505	70	20	BDID	
COc1cc(C(=O)Nc2cccc(C)c2O)on1	159430124	WBSPCPRLPOXJPJ-UHFFFAOYSA-N	248.238	1.950	70	20	BDID	
CC(C)[C@H](C)NC(=O)[C@]1(C)CCCCN1	159556218	IRRSAGDAIVIKIF-JQWIXIFHSA-N	212.337	1.679	70	20	BDID	
CC1(O)CN(C(=O)/C=C\c2ccccc2F)C1	217471922	HJAHUOZFPXWXHM-SREVYHEPSA-N	235.258	1.432	70	20	BDID	
C[C@H](CN(C)C)NCc1cncc(F)c1	160129562	AKDGXHNWSBTRLZ-SECBINFHSA-N	211.284	1.260	70	20	BDID	
CC[C@@H](CSC)NCc1cc(C)nn1C	217330741	RMHGUWWDLNIDHE-JTQLQIEISA-N	227.377	1.960	70	20	BDID	
CCNCCNCc1cc(F)ccc1C	161314541	QMWICJGIQZKGSK-UHFFFAOYSA-N	210.296	1.833	70	20	BDID	
CCCC[C@H](CC)N[C@H](C)CC(N)=O	160674253	UMLTXTDKMKQPJZ-ZJUUUORDSA-N	200.326	1.809	70	20	BDID	
O=C(NC[C@@H]1CC=CCC1)N[C@H]1CCOC1	159441572	GEMYIVDNMMHXKC-MNOVXSKESA-N	224.304	1.431	70	20	BDID	
CSCCNC(=O)[C@@H]1CCCCO1	160009904	XWLYLMLEMCJKAG-QMMMGPOBSA-N	203.307	1.035	70	20	BDID	
C[C@@H](CC(N)=O)N[C@@H](C)c1cscn1	161228144	QXAZRQIXNAEPJU-BQBZGAKWSA-N	213.306	1.058	70	20	BDID	
CC[C@@]1(C)C[C@@H]1C(=O)NCC(=O)NC(C)C	160138678	NCTWHPBYWYPVOY-SKDRFNHKSA-N	226.320	1.063	70	20	BDID	
CN(Cc1cccn1C)C(=O)c1cccn1C	160510563	KCGDOUOUZZMDMY-UHFFFAOYSA-N	231.299	1.636	70	20	BDID	
CCCCNC(=O)NCC1(OC)CCOCC1	160941246	DVDKNZFDRZWGJZ-UHFFFAOYSA-N	244.335	1.281	70	20	BDID	
Cc1ccoc1C(=O)NC1(CO)CCC1	161090039	IJKOVFAOUOHYKU-UHFFFAOYSA-N	209.245	1.233	70	20	BDID	
CCCO[C@@H]1CCCN(CC(OC)OC)CC1	161026770	GPGUQBCOCHYCFY-GFCCVEGCSA-N	245.363	1.886	70	20	BDID	
Nc1noc2ccc(S(=O)(=O)Cl)cc12	97972423	UMAXYGVALBAZOK-UHFFFAOYSA-N	232.648	1.338	70	20	BDID	
CC(C)(C)[C@H](CO)NC(=O)c1ccccc1	217426899	YVLUUDSOTDOGFA-NSHDSACASA-N	221.300	1.823	70	20	BDID	
CC(C)CCO[C@@H](C)C(=O)NCC(C)(C)N	160046759	BGLZEYMNRGSNKO-JTQLQIEISA-N	230.352	1.291	70	20	BDID	
Cc1nn(C)c(=O)c(-c2nc(C3CC3)no2)c1C	160820381	HMLAICDYHCJRNM-UHFFFAOYSA-N	246.270	1.325	70	20	BDID	
CC(C)c1ccc(C(=O)NCCN(C)C)cn1	160974626	HMNXAIJTNJDUQF-UHFFFAOYSA-N	235.331	1.496	70	20	BDID	
O=C1CCc2c(OS(=O)(=O)F)cccc21	1887503869	GYLCITXRLSVCJR-UHFFFAOYSA-N	230.216	1.409	70	20	BDID	
CCOCCCN1CCC[C@H]1C[C@@H](C)O	159374259	IKNUDFXWOMDYFV-NEPJUHHUSA-N	215.337	1.648	70	20	BDID	
CC[C@@H](NC(=O)[C@@H](C)NC(C)=O)c1ccccc1	216664740	HAPIDGHJDJIJKE-ZWNOBZJWSA-N	248.326	1.779	70	20	BDID	
C[C@H](CO)SCc1ccc(CO)cc1	161212390	VJEVTIMRTVQXNG-SECBINFHSA-N	212.314	1.793	70	20	BDID	
CCOCCOC(=O)c1cnccc1Cl	161407083	UOFVUCZCQQLODS-UHFFFAOYSA-N	229.663	1.928	70	20	BDID	
COC(=O)c1ccccc1[B-](F)(F)F	238408776	RVYJBVISXFRKMX-UHFFFAOYSA-N	202.948	1.528	70	20	BDID	
COc1ccnc(NCc2ccccn2)n1	161086707	HEYYYIWQAKVJDY-UHFFFAOYSA-N	216.244	1.492	70	20	BDID	
C[C@@H]1CC(NC(=O)NCCCF)C[C@@H](C)O1	160117122	LNXQAYZWEZXYOQ-RKDXNWHRSA-N	232.299	1.601	70	20	BDID	
C[C@H]1CCC[C@H](C(=O)NCc2nncn2C)C1	160132330	IMVJWKWOSRISFS-UWVGGRQHSA-N	236.319	1.258	70	20	BDID	
CC[C@@H](C)CN(CC)[C@@H](C)C(=O)N(C)C	160521225	NUTZWGQDVQRAAH-MNOVXSKESA-N	214.353	1.831	70	20	BDID	
C/C=C/C=C/C(=O)NOCc1cccnc1	160755102	DEDCMCLLHKMXOG-AOGGBPEJSA-N	218.256	1.762	70	20	BDID	
C[C@H](N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1	159713416	KGYYCANFZYVEPO-UHTWSYAYSA-N	232.327	1.786	70	20	BDID	
CN1CCCN(C(=O)c2ccc(Cl)o2)CC1	218190754	ZOGJJFHVNBOFMQ-UHFFFAOYSA-N	242.706	1.711	70	20	BDID	
NC[C@H]1CCCCN1C(=O)/C=C\c1ccco1	217595595	GQXDIOMUSVRORS-JMEBYUIHSA-N	234.299	1.633	70	20	BDID	
C[C@H](N[C@@H](C)c1cscn1)C(=O)N(C)C	161156133	PCIKTODYXWFGKT-YUMQZZPRSA-N	227.333	1.270	70	20	BDID	
COC(=O)c1ccc(OCc2ccnn2C)cc1	161201057	LRTQKQPKZXCBGC-UHFFFAOYSA-N	246.266	1.786	70	20	BDID	
O=S(=O)(F)CCNc1ccccc1	136013496	CQFIAJJSUAJHTR-UHFFFAOYSA-N	203.238	1.398	70	20	BDID	
CC[C@@H](O)CCN[C@@H]1CCOC(C)(C)C1	218763113	QVWXNXCQBRHSRF-GHMZBOCLSA-N	215.337	1.695	70	20	BDID	
C[C@@H]1Cc2cc(CNCCO)ccc2O1	161141708	DHLANCZZFBNTGQ-SECBINFHSA-N	207.273	1.092	70	20	BDID	
Cc1noc(C)c1C[C@@H](C)NC(=O)CCCN	161365211	CWLIDUZCBJXREC-MRVPVSSYSA-N	239.319	1.078	70	20	BDID	
CCCC1(CNC(=O)CC(=O)N(C)C)CC1	160721073	RXGWBUPXZHRMSK-UHFFFAOYSA-N	226.320	1.161	70	20	BDID	
Cc1ncoc1C(=O)NC1CCC(=O)CC1	159470533	PRNAMRUNUVNINQ-UHFFFAOYSA-N	222.244	1.225	70	20	BDID	
CCc1nsc(N[C@@H](C)C[C@@H](C)O)n1	159685554	QKSAMBJGHWZAOO-NKWVEPMBSA-N	215.322	1.672	70	20	BDID	
O=S(=O)(F)c1cccc(Cl)c1O	238720334	GVDXABIADIBVML-UHFFFAOYSA-N	210.613	1.704	70	20	BDID	
Cc1ccnc(N[C@@H]2CCCN[C@@H]2C)n1	160548053	MDVYBEPVCLTKDI-NXEZZACHSA-N	206.293	1.337	70	20	BDID	
Cc1cc(C(=O)NC2CCC(=O)CC2)co1	161491919	NKHHCRJQAYFVGA-UHFFFAOYSA-N	221.256	1.830	70	20	BDID	
C[C@H](NC(=O)c1cccc(F)n1)[C@@H]1CCOC1	161445194	YOXAXOCMZSVOKG-DTWKUNHWSA-N	238.262	1.376	70	20	BDID	
CCNC(=O)c1cccc(NC(=O)C(F)F)c1	218682632	SVJUOBCJNVWGKA-UHFFFAOYSA-N	242.225	1.640	70	20	BDID	
Cc1ccc(F)c(O)c1S(=O)(=O)Cl	238855147	QPISZJKBBHHYFC-UHFFFAOYSA-N	224.640	1.767	70	20	BDID	
CC1(NC(=O)NCCn2cccn2)CCC1	161274023	JWIAWEMUYFTOKE-UHFFFAOYSA-N	222.292	1.125	70	20	BDID	
CC[C@H]1CN(C(=O)[C@@H]2CCCCO2)CCO1	161351650	FBLKQTIGPKNSPJ-QWRGUYRKSA-N	227.304	1.193	70	20	BDID	
CCCOCC(=O)NCCc1cccc(O)c1	160220965	HHUCFWNTUVXHLI-UHFFFAOYSA-N	237.299	1.478	70	20	BDID	
CCN(C)C(=O)N[C@@H]1CCO[C@H](C2CC2)C1	160483679	KLDIHADDJXULIU-MNOVXSKESA-N	226.320	1.605	70	20	BDID	
COC(=O)CN(CCOCC1CC1)C(C)C	159600614	BXGBBKCBMCYCJN-UHFFFAOYSA-N	229.320	1.296	70	20	BDID	
CCCC[C@H](Sc1ncn[nH]1)C(=O)OC	160690075	RBIQHJXFHJYANI-ZETCQYMHSA-N	229.305	1.629	70	20	BDID	
COC[C@@H](O)CCNC(=O)C[C@@H](C)CC(C)C	161149525	HEJXEBHUEHTUTM-RYUDHWBXSA-N	245.363	1.572	70	20	BDID	
NCCCNC(=O)c1ccccc1OCC1CC1	160102079	WZYBTVFNXMGLGW-UHFFFAOYSA-N	248.326	1.554	70	20	BDID	
CS[C@@H](C)CC(=O)NC[C@@H]1CCN(C)C1	160654786	BVCXFVCDVYFFHZ-UWVGGRQHSA-N	230.377	1.196	70	20	BDID	
Cc1cnccc1CNC(=O)C(F)(F)F	160681198	PTOCNEKCVAVCFL-UHFFFAOYSA-N	218.178	1.569	70	20	BDID	
C[C@@H]1CCN(C(=O)Nc2ccn(C)n2)C[C@@H]1C	160756664	BZEVOYDKRVKMNW-ZJUUUORDSA-N	236.319	1.930	70	20	BDID	
C[C@H](N)C(=O)N1CCO[C@@](C)(c2ccccc2)C1	159645159	QXPJIXXKEQZAQL-SMDDNHRTSA-N	248.326	1.108	70	20	BDID	
CCN(CC)CCCNC(=O)C(F)F	217639276	IXMLEABJCVRNCH-UHFFFAOYSA-N	208.252	1.100	70	20	BDID	
C[C@H](NC[C@@H]1COCCO1)c1cscn1	161158636	MKVMMFLZIKJZLD-DTWKUNHWSA-N	228.317	1.209	70	20	BDID	
CNCC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C	159885731	KIQWFFWHLMZHRP-QWHCGFSZSA-N	246.354	1.919	70	20	BDID	
CC(C)NC(=O)CN1CC[C@@H]2CCCC[C@@H]21	159654154	GJOQLNWJQNLFRC-RYUDHWBXSA-N	224.348	1.776	70	20	BDID	
C[C@H](N)CN[C@@H](C)Cc1ccccc1F	218300482	CGYUQCCQTUIIEZ-UWVGGRQHSA-N	210.296	1.694	70	20	BDID	
C[C@@]1(NC(=O)OCC(F)(F)F)CCOC1	159969739	XCUWKUIKKLFMTM-SSDOTTSWSA-N	227.182	1.454	70	20	BDID	
Cc1cc2c(NCCOC(C)C)nccn2n1	160596996	UZOSLICXCNRIDO-UHFFFAOYSA-N	234.303	1.875	70	20	BDID	
CN[C@H]1CCN(C(=O)C[C@@H](C)c2ccncc2)C1	160772760	IDEIJJSBAWVCJY-YPMHNXCESA-N	247.342	1.396	70	20	BDID	
CCCCCN1C(=O)N[C@@](C)(COC)C1=O	159653917	NUESGGOFPYDIPG-NSHDSACASA-N	228.292	1.134	70	20	BDID	
CC(C)(N)CNC(=O)c1cc(-c2ccco2)on1	160102527	ODEDXVOQKABQID-UHFFFAOYSA-N	249.270	1.402	70	20	BDID	
CC[C@@](C)(O)CN1CCN(CC(F)F)CC1	160738154	CGZNHHXJKWCWKX-LLVKDONJSA-N	236.306	1.030	70	20	BDID	
N[C@@H](CCO)c1ccc(O)cc1C(F)(F)F	216898561	MVIFDLKYFGUSNZ-VIFPVBQESA-N	235.205	1.793	70	20	BDID	
CS[C@@H](C)CNC(=O)NC[C@H]1CCCS1	160179271	KZDCFINKOXUAIJ-DTWKUNHWSA-N	248.417	1.933	70	20	BDID	
CCCN(C)S(=O)(=O)NCC1(C2CC2)CC1	160181892	PSIVGWHTRHZVES-UHFFFAOYSA-N	246.376	1.353	70	20	BDID	
COC[C@H](C)CNc1ncccc1OC	160224784	MQEIHCTWFGFURZ-SECBINFHSA-N	210.277	1.785	70	20	BDID	
C[C@H](N)C(=O)Nc1ccc2c(c1)C(=O)CCC2	159602001	DELZYDKAYPGTLB-QMMMGPOBSA-N	232.283	1.491	70	20	BDID	
NCCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1	159714496	YEYIELMPPYBSAW-OLZOCXBDSA-N	232.327	1.788	70	20	BDID	
CCNS(=O)(=O)Cc1c(F)cccc1F	159988747	MAUIYHHAYVSSPY-UHFFFAOYSA-N	235.255	1.404	70	20	BDID	
CCOCCCC(=O)NC(C)(C)CCO	160785259	JHZNUVWZYNRNRL-UHFFFAOYSA-N	217.309	1.080	70	20	BDID	
CC[C@H](O)CCN[C@H]1CCOC(C)(C)C1	218763247	QVWXNXCQBRHSRF-QWRGUYRKSA-N	215.337	1.695	70	20	BDID	
CONC(=O)NC[C@@H](C)c1nc(C)cs1	159636382	LEMDTQHSEKDSBF-ZCFIWIBFSA-N	229.305	1.416	70	20	BDID	
CCC[C@@H](C)C(=O)N[C@H](CCO)C(C)C	160561438	VYZHQHLTQJYPDP-GHMZBOCLSA-N	215.337	1.946	70	20	BDID	
CC(C)n1cncc1CS(=O)(=O)Cl	117513509	JJSCTISEKXHOFX-UHFFFAOYSA-N	222.697	1.533	70	20	BDID	
Cc1nn(C)cc1CNc1ccc(F)cn1	161286805	XDYGUHKODGUJQY-UHFFFAOYSA-N	220.251	1.875	70	20	BDID	
Cc1nnnn1CC(=O)CCC1CCCC1	160453416	AKXCLVNGLNTHBR-UHFFFAOYSA-N	222.292	1.521	70	20	BDID	
C[C@@H]1CC[C@@H](CC(=O)N2CC[C@@H](N)C2)C1	160277968	LCAHDVSJJPNDOQ-GMTAPVOTSA-N	210.321	1.372	70	20	BDID	
N[C@@H]1CCC[C@H](NC(=O)CCc2ccncc2)C1	161220714	MRIQWEXYZHYOPP-OLZOCXBDSA-N	247.342	1.400	70	20	BDID	
Cn1cnnc1CN1CC[C@@H](c2ccccc2)C1	160875286	MFVJRSSGIOXWPO-CYBMUJFWSA-N	242.326	1.805	70	20	BDID	
CN(CCCN1CCCCC1)[C@@H]1CCOC1	161006553	SQVZVGOUNRFXJX-CYBMUJFWSA-N	226.364	1.583	70	20	BDID	
CCN1CCC[C@@H]1CNC(=O)C1(C)CC1	159573222	VAGATSMPSCAHRB-SNVBAGLBSA-N	210.321	1.387	70	20	BDID	
CCOCCC1(CNC(=O)[C@@H](C)OC)CCC1	159576918	KFYJISRVXYWVSU-LLVKDONJSA-N	243.347	1.734	70	20	BDID	
C[C@@H]1C[C@@H]1CNC(=O)CC[C@@H]1CCNC1	160459196	SMTIZBPWOCBASB-GMTAPVOTSA-N	210.321	1.148	70	20	BDID	
CN(CC1CCOCC1)C(=O)N1CCCC1	161125117	IPZXZWOKQIBKPW-UHFFFAOYSA-N	226.320	1.561	70	20	BDID	
O=C1CCC(=O)N1Cc1c(F)cccc1F	216697563	HNQKXYXCDCWZMV-UHFFFAOYSA-N	225.194	1.614	70	20	BDID	
C[C@@]1(Nc2ccc3nccnc3n2)CCOC1	160003214	KNTACRRHPYBQCX-GFCCVEGCSA-N	230.271	1.616	70	20	BDID	
CC(C)[C@H](C)CC(=O)N(C)[C@@H](C)CO	160368895	MIHDMQURHTVDFR-ZJUUUORDSA-N	201.310	1.508	70	20	BDID	
CN(Cc1cnc2ccccn12)c1cnn(C)c1	160576715	LAEJYHMSMBGKAS-UHFFFAOYSA-N	241.298	1.704	70	20	BDID	
CC(C)c1ccc(C(=O)NCC2(CO)CC2)cn1	160788096	AZUIWOOQXDBCKQ-UHFFFAOYSA-N	248.326	1.707	70	20	BDID	
C[C@H]1CC[C@@H](C(=O)NCCc2ccccc2O)O1	159644973	WEERUGNYGMIIOP-GWCFXTLKSA-N	249.310	1.618	70	20	BDID	
CNC(=S)N[C@H](C)Cc1ccccc1	159709635	QSIXPCRRFHQRKP-SECBINFHSA-N	208.330	1.712	70	20	BDID	
CC1(C)C[C@@H](NCc2csnn2)CCO1	159938961	LLLZHDKPNOWPBY-QMMMGPOBSA-N	227.333	1.585	70	20	BDID	
CC(C)[C@@H](C)NC(=O)[C@@]1(C)CCCCN1	159556363	IRRSAGDAIVIKIF-ZYHUDNBSSA-N	212.337	1.679	70	20	BDID	
CCONC(=O)NC[C@H](C)c1nc(C)cs1	159565608	WWFZMFAXXFEPDV-ZETCQYMHSA-N	243.332	1.806	70	20	BDID	
Cc1cnc(C(=O)N2[C@H]3C=CC[C@H]2CC3)cn1	218735528	KMNVLPBYGVRABG-QWRGUYRKSA-N	229.283	1.718	70	20	BDID	
COCCOCC(=O)N(C)Cc1ccsc1	218628791	GTLOZUQLYZRAQE-UHFFFAOYSA-N	243.328	1.370	70	20	BDID	
CN(C)[C@H](CNC(=O)C(F)F)c1ccccc1	217656020	WAWFQRFOJPTWJT-SNVBAGLBSA-N	242.269	1.671	70	20	BDID	
O=S(=O)(Cl)N1CCC2(CCC2)CC1	307138529	AQTVVHGAUAWZPM-UHFFFAOYSA-N	223.725	1.736	70	20	BDID	
Cc1n[nH]c(C)c1CC(=O)NC1CC=CC1	161035991	KHJXHSYWPFLAKF-UHFFFAOYSA-N	219.288	1.404	70	20	BDID	
CCN(CCc1ccccc1)Cc1nncn1C	160799664	CCXSEWQSFGZFAG-UHFFFAOYSA-N	244.342	1.880	70	20	BDID	
CC[C@@H](C)n1ccc(CS(=O)(=O)Cl)n1	113264803	JWZRDUHFHHNSLH-SSDOTTSWSA-N	236.724	1.923	70	20	BDID	
CC(=O)NCc1cc(Br)ccn1	217878273	ZTUGZNFKFSSVGD-UHFFFAOYSA-N	229.077	1.480	70	20	BDID	
O=C(NCCCOCC1CC1)C(F)F	218693293	YQAFKQXTHICLTL-UHFFFAOYSA-N	207.220	1.184	70	20	BDID	
COCCCCCNc1nccn2c(C)nnc12	218051082	KOOLQCJCDLDYBN-UHFFFAOYSA-N	249.318	1.661	70	20	BDID	
CC[C@@H](O)CCN[C@H](C)c1ccncc1	161238152	DQKKQPUPJDLETI-ZYHUDNBSSA-N	208.305	1.893	70	20	BDID	
CC[C@]1(C)C[C@H]1C(=O)N(CCOC)CCOC	160834627	FOZANHFWZNXKES-WCQYABFASA-N	243.347	1.544	70	20	BDID	
COCCCCNC(=O)N1CCO[C@@H](C)[C@@H]1C	160729839	ZWHYHJNYHNVANT-QWRGUYRKSA-N	244.335	1.232	70	20	BDID	
Cc1ccccc1CN(C)C(=O)N[C@@H]1CCOC1	159385360	MIAKRQMLQMCFGU-CYBMUJFWSA-N	248.326	1.925	70	20	BDID	
CSCCCCC(=O)Nc1cn[nH]c1	159774833	ROMNAZDJMXWVON-UHFFFAOYSA-N	213.306	1.882	70	20	BDID	
CCCN1CCCN(C(=O)[C@H](C)OCC)CC1	160395936	JEGUPUAJRFNTAU-LBPRGKRZSA-N	242.363	1.356	70	20	BDID	
Cc1nc(NC(=O)N[C@H]2CCOC2)sc1C	159400274	NDFXRVOGJWGVNW-QMMMGPOBSA-N	241.316	1.670	70	20	BDID	
C[C@H](CN)NC1C2CC3CC(C2)CC1C3	216952879	CZVNNSPLXJDQBD-GLFGPFBSSA-N	208.349	1.748	70	20	BDID	
CCC(CC)CNC(=O)COC(C)C	161044679	GYMVKHGVECLQEJ-UHFFFAOYSA-N	201.310	1.964	70	20	BDID	
CC[C@H](C)C[C@@H](C)NC(=O)[C@@H](C)OC	160784454	ITUYWOVFRBWSML-IVZWLZJFSA-N	201.310	1.962	70	20	BDID	
CO[C@@H](C)C(=O)Nc1ccc(O)cc1C	160788274	WYRUSFKEFVLEMX-QMMMGPOBSA-N	209.245	1.674	70	20	BDID	
CNC(=O)CN1CCCc2c(C)ccc(OC)c21	159704740	HMNDGNGIAATSCN-UHFFFAOYSA-N	248.326	1.502	70	20	BDID	
C[C@@H](N)C(=O)N[C@H]1CCC[C@@H]1c1ccccc1	159717755	KGYYCANFZYVEPO-RTXFEEFZSA-N	232.327	1.786	70	20	BDID	
NCCC1CCN(Cc2cccc(N)c2)CC1	218752158	WOXJPFRIHZEQCB-UHFFFAOYSA-N	233.359	1.830	70	20	BDID	
CO[C@H](C)C(=O)Nc1cccc(CO)c1	161008772	KNFRVCKRTBWPIC-MRVPVSSYSA-N	209.245	1.152	70	20	BDID	
Cc1ccc(CN(C)S(=O)(=O)F)nc1	1887504617	KTRIXFRUCMJJCV-UHFFFAOYSA-N	218.253	1.036	70	20	BDID	
CN(Cc1ccncc1)C(=O)[C@@H]1CCCCO1	161189933	ISMLLOBQGLFYRW-LBPRGKRZSA-N	234.299	1.609	70	20	BDID	
CCCc1ccc(C(=O)NCCCN)cc1	160134821	HIKJVOSUNMXVEM-UHFFFAOYSA-N	220.316	1.718	70	20	BDID	
COC[C@H](C)NC(=S)N[C@H](C)C1CCC1	160039576	CTIQSJMVGHERQG-DTWKUNHWSA-N	230.377	1.674	70	20	BDID	
CCN(CC)C(=O)[C@@H](C)S[C@H](C)CO	160753104	QKKBOFIMACFJOF-RKDXNWHRSA-N	219.350	1.357	70	20	BDID	
Cc1ccc(CCS(=O)(=O)F)cc1	258194810	WICFZYMIZPLTDQ-UHFFFAOYSA-N	202.250	1.837	70	20	BDID	
CCc1nnc(Cn2c(Cl)cccc2=O)o1	161008285	CTJKMGZFOUQXEM-UHFFFAOYSA-N	239.662	1.495	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)[C@H]1C[C@@H]1C1CC1	160531632	SJHAVZOQUOYRDK-IEBDPFPHSA-N	239.315	1.490	70	20	BDID	
Cc1nn(C)cc1C(=O)NCC1(C2CC2)CC1	159875637	CQOFUPCYXDBRMR-UHFFFAOYSA-N	233.315	1.649	70	20	BDID	
CC(C)n1cccc1C(=O)N1CCOCC1	160965900	XMIFZPWRSMRGMJ-UHFFFAOYSA-N	222.288	1.541	70	20	BDID	
CCCCN(CCOC)C(=O)[C@@H]1CCCNC1	159551379	CKLCBNREPCAWPA-GFCCVEGCSA-N	242.363	1.261	70	20	BDID	
COc1cc(C)nc(NCc2ccncc2)n1	161097908	BEXWOIYHXKRTCI-UHFFFAOYSA-N	230.271	1.801	70	20	BDID	
CCNC(=O)N1CCCC[C@H](SC)C1	161131103	NQROJACQGPUMAI-VIFPVBQESA-N	216.350	1.933	70	20	BDID	
COCc1noc(-c2cc(C(C)C)on2)n1	160856358	NAAPSJMUYMCEMQ-UHFFFAOYSA-N	223.232	1.994	70	20	BDID	
CC(C)N(C(=O)[C@@H](C)N(C)C[C@@H](C)O)C(C)C	159392008	JBNBHKJVZJSDNU-VXGBXAGGSA-N	244.379	1.333	70	20	BDID	
CCCC[C@@H](C(=O)OC)N(C)C[C@H](O)C1CC1	160847767	PAEBQQMGYQKAOG-RYUDHWBXSA-N	243.347	1.421	70	20	BDID	
CC(C)[C@H](N)CNC(=O)/C=C\c1ccco1	216997291	PIJXAOLDPSVQJY-ISALQUGTSA-N	222.288	1.392	70	20	BDID	
CC1=CCN(C(=O)N2CCOCC2)CC1	160049033	FKSIYTSYWVDOKW-UHFFFAOYSA-N	210.277	1.091	70	20	BDID	
CC[C@H](C)N1CCN(C(=O)NC(C)(C)C)CC1	160517425	SENNSJHJUPZTAC-NSHDSACASA-N	241.379	1.911	70	20	BDID	
O=C(Nc1ccn(CC(F)F)n1)[C@@H]1CCCO1	160153906	YAUPSYQDQMEIBW-ZETCQYMHSA-N	245.229	1.266	70	20	BDID	
CC[C@H](C)OCC(=O)N1C[C@@H](C)OC(C)(C)C1	161467904	DSAVDIAHFOJCEZ-WDEREUQCSA-N	243.347	1.827	70	20	BDID	
C[C@@H](N)C(=O)N1CCC[C@](C)(c2ccccc2)C1	160103238	KLLPNBUAOVEAMU-DOMZBBRYSA-N	246.354	1.914	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1cccnc1	160391786	OOIMTRLCEJETBZ-VIFPVBQESA-N	236.271	1.153	70	20	BDID	
CCc1nc(CN(C)CCc2ccncc2)n[nH]1	160217276	AUGTWRRVPIOVPF-UHFFFAOYSA-N	245.330	1.437	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)C(CC)CC	160517005	VBKVVKXRDNZQJJ-SECBINFHSA-N	229.320	1.881	70	20	BDID	
CN[C@@H]1CCN(C(=O)C[C@@H](C)CC(C)C)C1	160715395	VAWBWRGAHPSNTB-NWDGAFQWSA-N	226.364	1.879	70	20	BDID	
CCCO[C@H]1CCCN(C(=O)[C@@H](C)N)CC1	159470532	FJMLXALQXVTTIX-MNOVXSKESA-N	228.336	1.141	70	20	BDID	
CCC[C@@H](C(=O)N1CCOCC1)C(C)C	160966268	IYWSOFMJYFMUEG-LLVKDONJSA-N	213.321	1.918	70	20	BDID	
O=S(=O)(F)C[C@@H]1COc2ccccc2O1	675065437	DSEOMEDXNOIHTR-ZETCQYMHSA-N	232.232	1.126	70	20	BDID	
CCCNC(=S)NC[C@@H](C)SC	159576677	PIKVUGKZIDMXTO-SSDOTTSWSA-N	206.380	1.612	70	20	BDID	
C[C@H](CNC(=O)c1cccc(F)n1)C1CC1	160701106	QAUKIHACUAUXLW-MRVPVSSYSA-N	222.263	1.997	70	20	BDID	
CC[C@@H]1CC[C@@H](C)N1S(=O)(=O)Cl	136066397	KNALMJBJXANLTD-RNFRBKRXSA-N	211.714	1.733	70	20	BDID	
CC(C)OC(=O)CCNC(=O)C1(C)CC1	160044939	HOSBDKLNCNHBMF-UHFFFAOYSA-N	213.277	1.244	70	20	BDID	
COC(=O)CCCC(=O)OCc1cncs1	160056596	BLACMKSKANMUCP-UHFFFAOYSA-N	243.284	1.530	70	20	BDID	
CC(C)CCO[C@H](C)C(=O)NC[C@H](C)CCO	160991276	GGZQEMMRDJQCKF-VXGBXAGGSA-N	245.363	1.572	70	20	BDID	
CCC(CC)C(=O)NC1(C)CCNCC1	160570527	VOFSTYCSCZTCSZ-UHFFFAOYSA-N	212.337	1.681	70	20	BDID	
CCCCOC(=O)CS[C@H](C)CO	160753737	JZDZYAWFIIEWBM-MRVPVSSYSA-N	206.307	1.444	70	20	BDID	
CSC[C@H](C)C(=O)N[C@H]1CCC[C@H](N)C1	160829187	BIBJMMJJULYIFD-GUBZILKMSA-N	230.377	1.372	70	20	BDID	
O=C(NCCF)c1ccc(S(=O)(=O)F)cc1	864241751	KDPULLRIZLRYQB-UHFFFAOYSA-N	249.238	1.044	70	20	BDID	
CCOC[C@]1(C)C[C@@H]1S(=O)(=O)Cl	521399941	DOAVYDUYTXSUFH-BQBZGAKWSA-N	212.698	1.370	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)CS(=O)(=O)CC	159682471	JPKWGTZXCBXGRC-NXEZZACHSA-N	247.360	1.116	70	20	BDID	
O=C(N[C@H]1CCOC1)N(CC1CC1)CC1CC1	159374329	FVRVVGRTRNWDJS-LBPRGKRZSA-N	238.331	1.607	70	20	BDID	
CNCC(=O)NCC(C)(C)c1cccc(F)c1	159704933	WAWGPDQIFXIONF-UHFFFAOYSA-N	238.306	1.439	70	20	BDID	
CN(CCO)C(=O)Nc1ccc(N(C)C)cc1	217311436	WYQOHBPEAGHOCT-UHFFFAOYSA-N	237.303	1.209	70	20	BDID	
CCc1ncnc(NC2CCOCC2)c1F	217980897	AHIJLVCICFRUQR-UHFFFAOYSA-N	225.267	1.769	70	20	BDID	
C[C@]1(CNc2cnccn2)CCCNC1	160001128	VUNZEITWLUBBIU-NSHDSACASA-N	206.293	1.278	70	20	BDID	
C[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCn2ccnc2C1	161441839	VFBODFIMVBVASN-IJLUTSLNSA-N	247.342	1.750	70	20	BDID	
C[C@H]1CC[C@@H](C)N1C(=O)COC[C@@H]1CCOC1	161503117	HLWDVALHKHGLEN-GRYCIOLGSA-N	241.331	1.439	70	20	BDID	
CCOCCC1(C(=O)N2CCOCC2)CCC1	160515518	KJGUUGLCQWNUHW-UHFFFAOYSA-N	241.331	1.442	70	20	BDID	
CCN(C)C(=O)N[C@@H]1CCN(CC2CC2)C1	160712930	WVSBNCHDPLDCDQ-LLVKDONJSA-N	225.336	1.132	70	20	BDID	
C[C@H]1CC(=O)CC[C@H]1C(=O)Nc1cn[nH]c1	159828829	IVYJKUOSBUWLBC-OIBJUYFYSA-N	221.260	1.354	70	20	BDID	
CN(CCN)Cc1ccc(Br)cn1	159791504	ZZSZPAFUSOWCOW-UHFFFAOYSA-N	244.136	1.235	70	20	BDID	
C[C@@H]1CCN(c2nc(Cl)nc3nc[nH]c23)C1	160187088	SRIVKMKYYKHBIP-ZCFIWIBFSA-N	237.694	1.853	70	20	BDID	
O=C(Cc1ccsc1)NC1(CO)CCC1	161116089	OGSYUBACRAYIGR-UHFFFAOYSA-N	225.313	1.322	70	20	BDID	
CCNC(=O)N1CCCC[C@@H](SC)C1	161131190	NQROJACQGPUMAI-SECBINFHSA-N	216.350	1.933	70	20	BDID	
Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)n1	159873775	FBVOVIPLTTUEKF-TXEJJXNPSA-N	245.326	1.357	70	20	BDID	
C[C@@H](Sc1nc(N)nc(N)n1)C(F)(F)F	161256206	FFAGTEHVPMNOSS-UWTATZPHSA-N	239.226	1.079	70	20	BDID	
Cc1nccn1CCS[C@@H](C)CO	161007326	JUOXNSAECCBGGV-QMMMGPOBSA-N	200.307	1.306	70	20	BDID	
CCCSCC(=O)N[C@@H](C)CC(=O)OCC	160519162	MVOUHHGFKOZXCC-VIFPVBQESA-N	247.360	1.588	70	20	BDID	
Cc1noc(CNC(=O)NC2(C)CCC2)n1	160591763	NFDXTEGVLHFVML-UHFFFAOYSA-N	224.264	1.120	70	20	BDID	
CCC(CC)n1ccc(Cn2ncn(C)c2=O)n1	160782705	KSZFHLRMMDYFFQ-UHFFFAOYSA-N	249.318	1.188	70	20	BDID	
CC[C@@H](C)C(=O)NCC1(C)CCNCC1	159975438	LHWONAQGQSHTLG-SNVBAGLBSA-N	212.337	1.538	70	20	BDID	
Cc1cc(C(=O)N2[C@@H](C)CC[C@H]2C)on1	161418462	VXLAVRNOFXYDPL-DTORHVGOSA-N	208.261	1.996	70	20	BDID	
CC(C)C[C@@H](C)NC(=O)NC1CCN(C)CC1	159565736	PKRVCPINTWLERF-LLVKDONJSA-N	241.379	1.814	70	20	BDID	
CC(C)c1cc(CNC(=O)[C@H](N)C(C)C)on1	160149812	QBNDSMANRCDQJZ-LLVKDONJSA-N	239.319	1.398	70	20	BDID	
O=S(=O)(Cl)CCCOc1cccnc1	112155573	YSWJUEWJEDBKBE-UHFFFAOYSA-N	235.692	1.419	70	20	BDID	
CSC[C@H](C)NC(=O)CC[C@@H]1CCNC1	160470450	UDGASNSROTYKLS-VHSXEESVSA-N	230.377	1.244	70	20	BDID	
Cc1cnccc1CN[C@@H]1CCCNC1	160595387	AGZWYJPBCBJUBB-GFCCVEGCSA-N	205.305	1.232	70	20	BDID	
COC(C)(C)C[C@H](C)NC(=O)[C@@H]1CCCCN1	160966851	ZUWGDPWHVBKDDR-QWRGUYRKSA-N	242.363	1.448	70	20	BDID	
OC[C@@H]1CCCN1CCCN1CCCCC1	161338411	CUMWSYLUYVYMRC-ZDUSSCGKSA-N	226.364	1.319	70	20	BDID	
CCC(=O)Oc1ccccc1NC(C)=O	218648860	OLZXQPDTJSNHNT-UHFFFAOYSA-N	207.229	1.960	70	20	BDID	
NC(=O)[C@@H](NC1CC=CC1)c1ccccc1	160898463	PTZCDHUPALHMGV-LBPRGKRZSA-N	216.284	1.521	70	20	BDID	
CCc1nn(C)cc1CN[C@H](C)CSC	161396756	MURBSJRSHNKNDF-SECBINFHSA-N	227.377	1.824	70	20	BDID	
CC(C)(C)NC(=O)c1cc(S(=O)(=O)F)c[nH]1	1346040133	BFBIZBUDLMSDRC-UHFFFAOYSA-N	248.279	1.201	70	20	BDID	
NOCC(=O)NCC12CC3CC(CC(C3)C1)C2	217173514	SDVXMESCUHTRDO-UHFFFAOYSA-N	238.331	1.209	70	20	BDID	
CCCC1(CNC(=O)CCOCCOC)CC1	160561969	XSIOLUVZOSAIRY-UHFFFAOYSA-N	243.347	1.736	70	20	BDID	
CN(C(=O)Nc1cnn(C)c1)[C@H]1CCSC1	159801663	HYIKCCIUFKWLEW-VIFPVBQESA-N	240.332	1.389	70	20	BDID	
CCCC[C@H](COC)NC(=O)CC1(N)CCC1	159655146	BEJQFWQMTHKEEP-LLVKDONJSA-N	242.363	1.579	70	20	BDID	
O=C(/C=C/c1cccnc1)N[C@@H]1CCC[C@H]1O	161122309	OXZBMFPDCDZDJO-BYAJROORSA-N	232.283	1.124	70	20	BDID	
C[C@@H]1C[C@@H](C)N(Cc2cnc(N)s2)C1	161298587	KUBIDTKLKSNXQK-HTQZYQBOSA-N	211.334	1.956	70	20	BDID	
CCOC(=O)CN(C)C(=O)C[C@@H](C)SC	161363670	QWJYTIAHLOMAFM-MRVPVSSYSA-N	233.333	1.150	70	20	BDID	
C[C@H]1C[C@H]1C(=O)N(C)Cc1cccn1C	160508423	AJYZNEVCXMHIJU-GXSJLCMTSA-N	206.289	1.640	70	20	BDID	
CCc1nc(CC(=O)N(C)[C@H](C)CO)cs1	160527680	AVZZREORNBJWDV-MRVPVSSYSA-N	242.344	1.087	70	20	BDID	
CC[C@@H](NC(=O)CCOC)c1c(C)noc1C	159973702	MXPYEYSPWAFXOL-SNVBAGLBSA-N	240.303	1.895	70	20	BDID	
CCc1ncnc(N(C)[C@H]2CCOC2)c1F	159594248	RGRIGVJEOHIWJA-QMMMGPOBSA-N	225.267	1.403	70	20	BDID	
CC[C@H]1C[C@@H](N[C@H](CC)CCO)CCO1	217690405	ZBSNJBYDLOEMFU-WOPDTQHZSA-N	215.337	1.695	70	20	BDID	
CCCCCCC(=O)N1CCC[C@@H]1CN	160336207	PWZUBZVRVFOMRU-LLVKDONJSA-N	212.337	1.907	70	20	BDID	
COC[C@@H](N[C@@H](CCO)CSC)C1CC1	160429846	RBQKSJMHJSWXLX-WDEREUQCSA-N	233.377	1.115	70	20	BDID	
Cc1cccc(C(=O)NC[C@@H](C)N(C)C)c1F	161454962	TZZYKOYDOGPQRU-SNVBAGLBSA-N	238.306	1.814	70	20	BDID	
O=C(Nc1ccsc1)N[C@H]1CCOC1	159470750	LKXHPBLYDKTXEF-ZETCQYMHSA-N	212.274	1.659	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)CCOCCOC	159560316	UXDGYRZKSJKNPG-NEPJUHHUSA-N	243.347	1.734	70	20	BDID	
Cc1sc(C=O)cc1S(=O)(=O)Cl	216124587	MDXHWBZKDZUMDP-UHFFFAOYSA-N	224.690	1.797	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)CCC(C)C	160240008	BQLDHZAAVUSPLK-JTQLQIEISA-N	229.320	1.881	70	20	BDID	
CC(C)CN(CC(N)=O)C(=O)CC1CCCC1	159816818	SFAZXQTUYFHCIW-UHFFFAOYSA-N	240.347	1.537	70	20	BDID	
CN(Cc1ccncc1)C(=O)N[C@@H]1CCOC1	159446452	FGDKZCGTXMCEOW-LLVKDONJSA-N	235.287	1.012	70	20	BDID	
Cc1ccc(NC(=O)C(=O)NCCC(C)C)cn1	159719171	FAOCAPGRPPGBQV-UHFFFAOYSA-N	249.314	1.491	70	20	BDID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)NC1CC1	159679747	ZUJWFQZSCQCKNC-JQWIXIFHSA-N	222.332	1.530	70	20	BDID	
CCSCCN1CCC[C@@H](OC)C1	160439715	BIBMOHFGEWVGGE-SNVBAGLBSA-N	203.351	1.850	70	20	BDID	
CCCN(CCC(=O)OCC)[C@H]1CCNC1	218257331	LQWPCQYCUXUCMI-NSHDSACASA-N	228.336	1.014	70	20	BDID	
CC(=O)c1nc(C)c(S(=O)(=O)Cl)s1	232309131	BXEXZWUUFGQCAJ-UHFFFAOYSA-N	239.705	1.582	70	20	BDID	
Cc1nc(C)c(CS(=O)(=O)Cl)o1	156932389	PRRXZNUTOGHOQO-UHFFFAOYSA-N	209.654	1.360	70	20	BDID	
CCCNS(=O)(=O)N[C@H]1CC[C@H](C)C1	160465883	RYIZQYIQTZOJLH-IUCAKERBSA-N	220.338	1.009	70	20	BDID	
CCC(CC)CNC(=O)N(CCO)C1CC1	160538906	ONRAOXNLGNFCED-UHFFFAOYSA-N	228.336	1.589	70	20	BDID	
c1cc(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)n[nH]1	159611672	FMIMDKLHTQEZSN-UTUOFQBUSA-N	233.315	1.457	70	20	BDID	
CCc1nc(CN[C@@H](C)C2CCOCC2)n[nH]1	160465312	UGRHIWVWOLLGKL-VIFPVBQESA-N	238.335	1.272	70	20	BDID	
CCN(CC)C(=O)N1CCN(CC)[C@@H](C)C1	159771268	YWYKFGRBBYZEKH-NSHDSACASA-N	227.352	1.474	70	20	BDID	
COC[C@H](N[C@H](CCO)CSC)C1CC1	160429986	RBQKSJMHJSWXLX-MNOVXSKESA-N	233.377	1.115	70	20	BDID	
Cc1cc(C(=O)NCC(F)(F)F)ncn1	161438126	OVVLMBZWBGNEHP-UHFFFAOYSA-N	219.166	1.077	70	20	BDID	
O=S(=O)(Cl)C[C@]1(F)CCSC1	1537958547	AXLCPZILDOEZNH-YFKPBYRVSA-N	218.702	1.400	70	20	BDID	
CCC[C@@H](O)CNS(=O)(=O)CC(C)(C)C	218194278	GEBGNSWGKHPIQJ-SECBINFHSA-N	237.365	1.113	70	20	BDID	
CNC(=O)N1CC=C(C(F)(F)F)CC1	160236591	XTYDRGQCADLONY-UHFFFAOYSA-N	208.183	1.520	70	20	BDID	
CO[C@@]1(CNc2ccc3c(n2)CCC3)CCOC1	160632786	NZLNTDQOUXTHPJ-CQSZACIVSA-N	248.326	1.788	70	20	BDID	
C[C@H]1CCC[C@@H](CC(=O)N2CCNCC2)C1	159404241	VUFZEKYWJNXGHG-NWDGAFQWSA-N	224.348	1.635	70	20	BDID	
CCc1ncnc(NCc2cc[nH]n2)c1F	217971932	XDBZIYUXMQJHLC-UHFFFAOYSA-N	221.239	1.513	70	20	BDID	
CC[C@H](O)CCN[C@H](C)c1cscn1	161227184	XMKVYTNIPOYFRF-BDAKNGLRSA-N	214.334	1.955	70	20	BDID	
CS[C@H](C)CNc1nccn2cnnc12	161424559	QULDTHSVICGHLZ-SSDOTTSWSA-N	223.305	1.288	70	20	BDID	
CN(CCC(F)(F)F)Cc1nncn1C	160842640	BUFKHBCKJJOVJB-UHFFFAOYSA-N	222.214	1.199	70	20	BDID	
O=S(=O)(Cl)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1F	1537958804	MHDNKSNPTJQBNA-VWDOSNQTSA-N	212.673	1.692	70	20	BDID	
COCCNC(=O)[C@@H](C)c1c(F)cccc1F	160459218	NQWMMPUSVPVVIZ-QMMMGPOBSA-N	243.253	1.831	70	20	BDID	
C[C@H]1COC[C@H](C)N1Cc1cnc2ccccn12	160572145	HTGNXJXTXKXGEW-RYUDHWBXSA-N	245.326	1.944	70	20	BDID	
CCc1ncnc(NC[C@H]2COCCO2)c1F	217982512	NYZMUISQUPAJAT-QMMMGPOBSA-N	241.266	1.005	70	20	BDID	
CCCCOCC(=O)N[C@H](CCO)C(C)C	160635080	MONJKVYZCHXWEP-LLVKDONJSA-N	231.336	1.326	70	20	BDID	
Cc1ccsc1[C@@H](C)N[C@@H](C)CC(N)=O	160668724	NCSZPHBCRZBJOY-DTWKUNHWSA-N	226.345	1.971	70	20	BDID	
COCC(=O)NCCc1ccccc1OC	217642053	BGQQFRYICFWJLC-UHFFFAOYSA-N	223.272	1.000	70	20	BDID	
C[C@@H](C1CC1)N(C)C(=O)N[C@@H]1CCOC1	159550855	GFBFFJTZBYURIT-WCBMZHEXSA-N	212.293	1.215	70	20	BDID	
O=S(=O)(F)c1c(F)c(F)cc(F)c1F	221506723	PJKVPFHKDSKCIG-UHFFFAOYSA-N	232.129	1.901	70	20	BDID	
N#Cc1cc(F)cc(CS(=O)(=O)Cl)c1	157448456	OQUODIDZGSLXBK-UHFFFAOYSA-N	233.651	1.766	70	20	BDID	
CCOc1ccccc1CNCCNC	161262016	QZRIJVMYMKBXFB-UHFFFAOYSA-N	208.305	1.394	70	20	BDID	
Cc1cc(C[C@@H](C)NC(=O)[C@H]2C[C@@H]2C2CC2)n[nH]1	161309215	XNLJSDFJRYMHGD-WQHBLYJGSA-N	247.342	1.811	70	20	BDID	
CCCC1(CNC(=O)C(=O)c2cnn(C)c2)CC1	160828503	BCVYFXVWHUSNJV-UHFFFAOYSA-N	249.314	1.299	70	20	BDID	
CCC(C)(CC)C(=O)NCCNC(=O)N(C)C	159448973	YDLUOJKREFAHCF-UHFFFAOYSA-N	243.351	1.200	70	20	BDID	
O=C(NCc1ccoc1)c1cccc(F)n1	159936905	MPDJNFYKSVMOBB-UHFFFAOYSA-N	220.203	1.744	70	20	BDID	
CCc1noc([C@@H](C)N(C)C[C@@H](C)O)n1	159363023	RZWSLYVSTLIZOE-HTQZYQBOSA-N	213.281	1.006	70	20	BDID	
C[C@H]1CN(S(=O)(=O)Cl)C(C)(C)C1	307160269	VRYYNUBMINUNOP-ZCFIWIBFSA-N	211.714	1.590	70	20	BDID	
CC(=O)OCCCC(=O)OC(C)(C)C	217756002	MABPYQZRTNHANI-UHFFFAOYSA-N	202.250	1.671	70	20	BDID	
CCOC(=O)[C@H](C)Nc1cc(C)n(C)n1	159613601	NJGVLGQCFGMPIH-QMMMGPOBSA-N	211.265	1.092	70	20	BDID	
C[C@H](CO)SCc1noc(C(C)(C)C)n1	160723035	PMVAEAZFNGUGAS-SSDOTTSWSA-N	230.333	1.981	70	20	BDID	
Cn1cnnc1CN1CCC[C@H]1C1CCCC1	160830396	AVSJXZISWDAZOM-LBPRGKRZSA-N	234.347	1.970	70	20	BDID	
CCN(Cc1ccccn1)[C@H]1CCOC1=O	161184232	HWNJHTAPGRVKFM-NSHDSACASA-N	220.272	1.219	70	20	BDID	
CC(C)C[C@@H](C)NC(=O)NC[C@H]1CCCN1C	159710608	BXCQTDOJEFVKII-VXGBXAGGSA-N	241.379	1.814	70	20	BDID	
CC(C)Cc1ccc(CC(=O)NCCCN)cc1	160096634	UBAHLDFFKDANMD-UHFFFAOYSA-N	248.370	1.893	70	20	BDID	
CCSCCN(CCOC)CC(F)F	160554135	SNUGPFCYMIXADM-UHFFFAOYSA-N	227.320	1.953	70	20	BDID	
COCCCNC(=O)c1ccc(C(C)C)nc1	160943044	DNWCIJMNDRKNGV-UHFFFAOYSA-N	236.315	1.971	70	20	BDID	
CC(=O)N1CC[C@H](NC(=O)C[C@H]2C=CCC2)C1	159780945	UIDRKZUDQLZKHR-RYUDHWBXSA-N	236.315	1.080	70	20	BDID	
COCCOCCn1cc(-c2ccccc2)nn1	216715985	LZBMZUHOLHVIMF-UHFFFAOYSA-N	247.298	1.608	70	20	BDID	
N[C@@H]1CCC[C@@H](NC(=O)c2cccnc2)C1	161005596	PUHCDSIYYROOJA-GHMZBOCLSA-N	219.288	1.081	70	20	BDID	
C[C@H](O)CCN[C@H](C)c1cscn1	161200095	BOSZSOLVHVRBSR-JGVFFNPUSA-N	200.307	1.565	70	20	BDID	
CC(C)C[C@@H]1CCCN(C(=O)[C@@H]2CCNC2)C1	161476113	HVWUPCPVSYFZIA-QWHCGFSZSA-N	238.375	1.881	70	20	BDID	
CCCCO[C@H](C)C(=O)N(C)[C@@H](C)CO	160505277	BSWJVJXRDSOTOA-VHSXEESVSA-N	217.309	1.031	70	20	BDID	
CC(C)[C@H](O)CC(=O)NC[C@H]1CCCC[C@@H]1O	160723339	JFTMUPOYHFGUMQ-GRYCIOLGSA-N	243.347	1.061	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)CCc1nnc[nH]1	159833327	MGKDCMUNBCYNNW-NXEZZACHSA-N	236.319	1.432	70	20	BDID	
COCCN(CCn1ccnc1)Cc1ccco1	159742678	IOIMSPOPMIWDIP-UHFFFAOYSA-N	249.314	1.625	70	20	BDID	
CCCCn1c(C)nn(C(C)(C)C)c1=O	159593346	ZWFNLUQXKDIGSF-UHFFFAOYSA-N	211.309	1.908	70	20	BDID	
CCc1ccc([C@@H](CO)NCc2ncc[nH]2)cc1	160768226	VBOJNIDNZGPDCW-CYBMUJFWSA-N	245.326	1.795	70	20	BDID	
C[C@H](N)CN[C@H](C)Cc1ccccc1F	218300535	CGYUQCCQTUIIEZ-VHSXEESVSA-N	210.296	1.694	70	20	BDID	
CC(C)C[C@@H](C)NC(=O)N1CCOCC1	159489652	PMZYFFBAUHZEDW-SNVBAGLBSA-N	214.309	1.463	70	20	BDID	
COc1cccnc1NCCN(C)C1CC1	160232267	JMOQIEUOFGBDHF-UHFFFAOYSA-N	221.304	1.596	70	20	BDID	
CSCC[C@H](N)C(=O)N1CCC2(CCC2)C1	160621341	HNBBYNZYZDBCJV-JTQLQIEISA-N	242.388	1.469	70	20	BDID	
CC[C@@H](C)CN(C)C(=O)[C@H](N)CCSC	159550321	OBNCABAEGNIUMF-NXEZZACHSA-N	232.393	1.571	70	20	BDID	
COC(=O)CN1CCc2c(C)cccc21	159790108	PEBPYDDICSZPDN-UHFFFAOYSA-N	205.257	1.531	70	20	BDID	
O=c1oc2c(cc1S(=O)(=O)Cl)CCCC2	100634813	HBFQZILBOODQBH-UHFFFAOYSA-N	248.687	1.446	70	20	BDID	
Cc1ccc(SCc2nncn2C)nc1	161027402	OSAGQGBVSACONZ-UHFFFAOYSA-N	220.301	1.811	70	20	BDID	
COCCCOCC(=O)Nc1cccc(F)n1	160610140	QSUVQLJZYTVIJL-UHFFFAOYSA-N	242.250	1.212	70	20	BDID	
CC(=O)c1cc(C(=O)NC2CC=CC2)n(C)c1	160969010	QAWXMZCUDDGILK-UHFFFAOYSA-N	232.283	1.676	70	20	BDID	
Cc1ccccc1CN(C)Cc1cnnn1C	160517328	KQIMPMCGLCNUMZ-UHFFFAOYSA-N	230.315	1.756	70	20	BDID	
CC(C)(CO)NCc1cc(O)cc(F)c1	159588218	KDQRQCAQWJAVGX-UHFFFAOYSA-N	213.252	1.392	70	20	BDID	
CC[C@H](C)CN(C)C(=O)[C@H](N)CCSC	159550457	OBNCABAEGNIUMF-VHSXEESVSA-N	232.393	1.571	70	20	BDID	
COCC(=O)COc1cccc(Cl)c1	161262792	NEVUMFJRGDFAEG-UHFFFAOYSA-N	214.648	1.934	70	20	BDID	
CC(C)c1nsc(NCCn2ccnn2)n1	159620519	RHSSCCXUZPVBFP-UHFFFAOYSA-N	238.320	1.365	70	20	BDID	
Cc1cc(CN2CCC[C@H]2C(N)=O)ccc1F	160329617	MTWVXOMEXVTEDA-LBPRGKRZSA-N	236.290	1.584	70	20	BDID	
COCC[C@@H](C)NC(=O)NC1(C)CCC1	160408521	PNFQZKCQNXBJHJ-SECBINFHSA-N	214.309	1.653	70	20	BDID	
COCCCCNC(=O)N1CCO[C@@H](C)[C@H]1C	160729714	ZWHYHJNYHNVANT-MNOVXSKESA-N	244.335	1.232	70	20	BDID	
COC(=O)C(C)(C)NCCCN1CCCCC1	160878651	HIQRLMPPOPNGGB-UHFFFAOYSA-N	242.363	1.404	70	20	BDID	
CCOCCCN1c2ccccc2C[C@H]1C(N)=O	159849552	FOQPKBBOSPSOIY-ZDUSSCGKSA-N	248.326	1.330	70	20	BDID	
CCC[C@@H](C)CC(=O)N1CCC[C@H]1CN	160265075	CMOQDMHTAKUCME-MNOVXSKESA-N	212.337	1.762	70	20	BDID	
CS[C@H](C)CNC(=O)c1ccccc1O	159532573	BZWKCLKFUFKVML-MRVPVSSYSA-N	225.313	1.874	70	20	BDID	
CC[C@H](C)c1nnc(S(=O)(=O)Cl)n1C	227589091	JUGBLJQAJHYUIT-YFKPBYRVSA-N	237.712	1.256	70	20	BDID	
C[C@H](O)C[C@H]1CCCN1C(=O)Nc1cccnc1	160823754	ICIZPFNCZKKPKB-CMPLNLGQSA-N	249.314	1.849	70	20	BDID	
COC(=O)CSCCC(=O)NC1CC=CC1	160842809	UKDMNYJYWJVCLG-UHFFFAOYSA-N	243.328	1.118	70	20	BDID	
C[C@@]1(C(=O)N2CCCC2)C[C@@H]1Br	141211383	QHHUVBWNQPNCCC-IONNQARKSA-N	232.121	1.782	70	20	BDID	
O=C([C@@H]1CCCS1)N1C[C@@H]2CCC[C@H](C1)N2	159940430	MPKAMQPGVZNXIA-AXFHLTTASA-N	240.372	1.235	70	20	BDID	
CC(C)CNC(=S)NCCCOCC1CC1	218654954	LRXHKERTCRZSIY-UHFFFAOYSA-N	244.404	1.923	70	20	BDID	
CCCNCCNCc1cccnc1C	161358646	XQFYEUZJWMNCKJ-UHFFFAOYSA-N	207.321	1.479	70	20	BDID	
C[C@@H]1CC[C@@H](CC(=O)N2CCC[C@@H]2CN)C1	160304985	MXHJOQABQBAKKU-IJLUTSLNSA-N	224.348	1.762	70	20	BDID	
C[C@H](CO)CNC(=O)c1cc2ccccc2n1C	160446774	IJMLWLCVNPPCQV-JTQLQIEISA-N	246.310	1.537	70	20	BDID	
CN(CCC1CCOCC1)c1cnccn1	160553798	GJZKMDCRBOOBBU-UHFFFAOYSA-N	221.304	1.730	70	20	BDID	
C[C@H](Cc1cccc(F)c1)C(=O)NCCO	159481067	CDOSRTDQYLWUMM-SECBINFHSA-N	225.263	1.113	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)c1ccc(=O)n(C)c1	159757644	VJFJIMSOWSAJOA-JQWIXIFHSA-N	248.326	1.694	70	20	BDID	
O=C(N[C@@H]1CCOC1)N(CC1CC1)CC1CC1	159374194	FVRVVGRTRNWDJS-GFCCVEGCSA-N	238.331	1.607	70	20	BDID	
C[C@H]1CN(C(=O)c2ccccc2N)C[C@@H](C)N1	161276467	NLQLOPFUNBQNEK-AOOOYVTPSA-N	233.315	1.091	70	20	BDID	
CCc1nc(C(=O)NC[C@@](C)(O)CC)co1	159409670	SOBHMSVZXQSRGC-NSHDSACASA-N	226.276	1.128	70	20	BDID	
Cc1csc(NC(=O)CS[C@H](C)CO)n1	160697662	AKMYMAJYQXTMAB-SSDOTTSWSA-N	246.357	1.504	70	20	BDID	
CC[C@@H]1CCCN(C(=O)N[C@H]2CCOC2)C1	159443846	URWQTRABHKUMPU-MNOVXSKESA-N	226.320	1.607	70	20	BDID	
COCc1ccc(CS(=O)(=O)Cl)cc1	114626189	WBOGMEBRDMJTTD-UHFFFAOYSA-N	234.704	1.902	70	20	BDID	
Cc1cccnc1CS(=O)(=O)Cl	156941186	RREIATPWAZGJHY-UHFFFAOYSA-N	205.666	1.459	70	20	BDID	
C[C@H](CO)N(C)C(=O)c1cnn(C(C)(C)C)c1	160472764	ZUWOJDJJQCIQTG-SECBINFHSA-N	239.319	1.091	70	20	BDID	
CN(C[C@H]1CCCN1C)C(=O)NC1CCCC1	160666275	GNKYXYHPLOTLHS-GFCCVEGCSA-N	239.363	1.665	70	20	BDID	
COCC(=O)N[C@H]1CCOC2(CCCCC2)C1	160758698	XKVUTPFAVKDVBA-NSHDSACASA-N	241.331	1.631	70	20	BDID	
CCOCCCN1CCC(N(C)C(C)=O)CC1	159663609	SWHLKLHUHLTOMV-UHFFFAOYSA-N	242.363	1.356	70	20	BDID	
CC(=O)N1CC[C@H](NC(=O)C[C@@H]2C=CCC2)C1	159781220	UIDRKZUDQLZKHR-NEPJUHHUSA-N	236.315	1.080	70	20	BDID	
CN(CCOCC1CC1)C[C@H]1CCCO1	160271948	XTNGBZIMMFERGT-GFCCVEGCSA-N	213.321	1.524	70	20	BDID	
Cc1ncncc1C(=O)NCC1(N)CCCCC1	159588813	YZWKJAWVQCRXRR-UHFFFAOYSA-N	248.330	1.176	70	20	BDID	
CCC[C@H](N)C(=O)NC(C)(CC)CC	160040492	PZQNLGRBUNCKMB-VIFPVBQESA-N	200.326	1.809	70	20	BDID	
C[C@H]1C[C@@H](C)CN1Cc1cnc(N)s1	161298393	KUBIDTKLKSNXQK-SFYZADRCSA-N	211.334	1.956	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H]1C[C@@H]1C1CC1	160531386	SJHAVZOQUOYRDK-FBIMIBRVSA-N	239.315	1.490	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)C[C@@H]1C=CCC1	160817140	FCZXPSYZXQTLTE-WDEREUQCSA-N	239.315	1.801	70	20	BDID	
CCCCCNC(=O)C(=O)Nc1nocc1C	159909012	BRMYFOSPCASDIN-UHFFFAOYSA-N	239.275	1.228	70	20	BDID	
CN(C)CC(=O)NCCc1cc2ccccc2[nH]1	159530334	RIMHWAWHSGNTKG-UHFFFAOYSA-N	245.326	1.388	70	20	BDID	
CC[C@]1(C)C[C@H]1C(=O)NCCNC(=O)C(C)C	159793225	SDOWLCCMXDMWIW-GXFFZTMASA-N	240.347	1.311	70	20	BDID	
CCc1cc(O)nc(CN2CCC(C)CC2)n1	160493060	BUVRWUWKJRGWLR-UHFFFAOYSA-N	235.331	1.977	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)[C@H]1C[C@@H]1C1CC1	160630874	VAZZQWBMJQPYCD-TUAOUCFPSA-N	225.332	1.556	70	20	BDID	
C[C@@H]1Cc2ccc(F)cc2[C@@H]1NCCO	159725072	LEKXNXLUIRXSOG-PRHODGIISA-N	209.264	1.641	70	20	BDID	
CCN(CCCO)C(=O)Cc1cccs1	160320518	BNMDDWFUGPCTCV-UHFFFAOYSA-N	227.329	1.522	70	20	BDID	
CCCO[C@H]1CCCN(CC(OC)OC)CC1	161026898	GPGUQBCOCHYCFY-LBPRGKRZSA-N	245.363	1.886	70	20	BDID	
C1COCC[C@H](NC[C@H]2CSCCS2)C1	161466951	MFBTVSNWRSKHSQ-MNOVXSKESA-N	247.429	1.994	70	20	BDID	
COCCOCCCNC(=O)NC1(C)CCC1	160729203	HMJHYGXVHMHEKU-UHFFFAOYSA-N	244.335	1.281	70	20	BDID	
CCS[C@H]1CCCCN(C(=O)C(C)(C)N)C1	159764407	XRDUDBIADISFND-JTQLQIEISA-N	244.404	1.858	70	20	BDID	
Cc1cccc([C@@H]2CCCN2CCO)n1	159834002	DZDVMWQXTYBGGY-LBPRGKRZSA-N	206.289	1.519	70	20	BDID	
CC[C@H](CCO)NCC1(O)CCCC1	217803285	DILSHODOKXYUQI-SNVBAGLBSA-N	201.310	1.042	70	20	BDID	
CC(C)(CCO)NC(=O)C1CCCCC1	160768557	GUGJQFKZKJKVAV-UHFFFAOYSA-N	213.321	1.844	70	20	BDID	
CC1CCC(N(C)Cc2nncn2C)CC1	160704552	ODQXXJGIEWZQPU-UHFFFAOYSA-N	222.336	1.826	70	20	BDID	
C[C@@H](CC(N)=O)NCC1CCCCCC1	160797721	STMZSUHTXFCVTM-JTQLQIEISA-N	212.337	1.810	70	20	BDID	
C[C@H]1CC[C@H](CNCCNC(C)(C)C)O1	161463486	IHUSPFLEYBBVAY-WDEREUQCSA-N	214.353	1.532	70	20	BDID	
CCN(CCC(=O)OC)C(=O)C[C@H](C)SC	160594804	QCRMRTAQZCMCFB-VIFPVBQESA-N	247.360	1.540	70	20	BDID	
Cc1cc(CS(=O)(=O)Cl)ccn1	103595406	NIISSNXFCNKCKW-UHFFFAOYSA-N	205.666	1.459	70	20	BDID	
CCOc1cccc(CN2CCC[C@H]2C(N)=O)c1	160306156	IHCJGHFTAAMXHK-ZDUSSCGKSA-N	248.326	1.535	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1cccnc1	160391685	OOIMTRLCEJETBZ-SECBINFHSA-N	236.271	1.153	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)CC(C)(C)C	160403291	CSMUEYXIANUZQJ-SECBINFHSA-N	229.320	1.881	70	20	BDID	
COCCCCC(=O)Nc1cccc(F)n1	160604650	DRPPOCBHPRCKES-UHFFFAOYSA-N	226.251	1.976	70	20	BDID	
C[C@H](CC(=O)N1CCC[C@H](O)C1)c1ccncc1	159822270	SJBPVVVDSOGBMK-YPMHNXCESA-N	248.326	1.559	70	20	BDID	
COc1ccc([C@@H](C)NCCO)cc1Cl	159688050	HJLLRCMCAOTIQD-MRVPVSSYSA-N	229.707	1.992	70	20	BDID	
CC[C@H]1CC[C@H](C)N1S(=O)(=O)Cl	136066356	KNALMJBJXANLTD-BQBZGAKWSA-N	211.714	1.733	70	20	BDID	
C[C@@H](N)C(=O)N[C@H]1C[C@H]1c1c(F)cccc1F	161021202	LUAMPLPTCPHPQA-XSSZXYGBSA-N	240.253	1.284	70	20	BDID	
CCN(CC)CCNC(=O)N[C@@H]1C=CCCC1	161479668	WBKIZEOJCOTLRS-GFCCVEGCSA-N	239.363	1.736	70	20	BDID	
C[C@H]1CC(=O)CC[C@H]1C(=O)NCCc1ccco1	160558419	JHQNPIRBDQIWHE-GXFFZTMASA-N	249.310	1.944	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)c1cocn1	159844073	WHNTWRQIIRGUIB-IUCAKERBSA-N	208.261	1.983	70	20	BDID	
Cc1ncoc1C(=O)Nc1ccc(O)cc1	159474141	NFVRLINZQJOASK-UHFFFAOYSA-N	218.212	1.941	70	20	BDID	
CC(C)C[C@H]1CCN(C(=O)[C@@H]2CCCNC2)C1	159612363	UUXTUFFNNSQCCL-CHWSQXEVSA-N	238.375	1.881	70	20	BDID	
COc1ccc(OS(=O)(=O)F)cc1F	1887503733	DIJHODTUSZCUQJ-UHFFFAOYSA-N	224.184	1.427	70	20	BDID	
CC(C)OCCCN(C)C[C@@H]1CCC[C@@H]1O	159475570	YNKRLNMOJKCIRS-STQMWFEESA-N	229.364	1.894	70	20	BDID	
CC[C@@H](CSC)N(C)CC(OC)OC	159668889	VPBNFUFHNVQXCR-VIFPVBQESA-N	221.366	1.679	70	20	BDID	
Cc1ccn(Cc2nnc3n2CCCC3)c(=O)c1	217323174	SSMDISRUAJKGHP-UHFFFAOYSA-N	244.298	1.133	70	20	BDID	
COc1ccc(C(=O)NCCSC)c(F)c1	218436883	RNSXTMGWPSAZRI-UHFFFAOYSA-N	243.303	1.927	70	20	BDID	
Cc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)ncn1	161157427	BXJKRBRFEQHVOH-AOOOYVTPSA-N	233.315	1.903	70	20	BDID	
CC(C)OCCN1CC[C@@H]([C@@H](C)N)C1	159503273	YHVYZVYHIKVTIX-GHMZBOCLSA-N	200.326	1.081	70	20	BDID	
CN[C@@H]1CCN(C(=O)c2cccc(Cl)n2)C1	160650789	YBKKVIZALBKQDI-MRVPVSSYSA-N	239.706	1.169	70	20	BDID	
CN1CCCC[C@@H]1C(=O)Nc1nccs1	217999824	SVMRVQYSXMJPRC-MRVPVSSYSA-N	225.317	1.566	70	20	BDID	
CS[C@@H](C)CNC(=O)c1cn[nH]c1C	159463596	PVJABTOULZYLQU-LURJTMIESA-N	213.306	1.199	70	20	BDID	
COc1cccc(NC(=O)C(F)F)c1	217593477	MIOYHXDURWNSIT-UHFFFAOYSA-N	201.172	1.899	70	20	BDID	
CC[C@H](NC(=O)[C@H](C)NC(C)=O)c1ccccc1	216664781	HAPIDGHJDJIJKE-GWCFXTLKSA-N	248.326	1.779	70	20	BDID	
Cc1cnccc1CNC(=S)NC(C)C	160678617	FVMUCGGLBKSHMR-UHFFFAOYSA-N	223.345	1.763	70	20	BDID	
CCOC(=O)[C@H](CC)N(CC)CCCO	160727716	JZRLOQMIIWVJFF-JTQLQIEISA-N	217.309	1.032	70	20	BDID	
Cn1cnnc1CN1CCC[C@@H]1C1CCCC1	160830264	AVSJXZISWDAZOM-GFCCVEGCSA-N	234.347	1.970	70	20	BDID	
Cc1nccn1CCCCN1CCN(C)CC1	161244938	LFULNXMYIPACNA-UHFFFAOYSA-N	236.363	1.219	70	20	BDID	
CCNC(=O)CNC(=O)c1cccc(C)c1F	159472016	RCZFCFSLZXNDJQ-UHFFFAOYSA-N	238.262	1.000	70	20	BDID	
CC[C@@H](C)[C@@H](C)NC(=O)c1cccc(=O)n1C	161055484	ULELFOBTDIAUJJ-NXEZZACHSA-N	236.315	1.550	70	20	BDID	
CCCC[C@@H](COC)NC(=O)[C@@H](N)C(C)C	161166853	VDGIGSJVTZBZJZ-QWRGUYRKSA-N	230.352	1.291	70	20	BDID	
CCCc1ncc(C(=O)N(C)[C@@H](C)CO)s1	160455931	JYQXPCFRUMWCFW-QMMMGPOBSA-N	242.344	1.548	70	20	BDID	
CNC(=O)Cc1noc(-c2cccn2C(C)C)n1	160886440	QAZPRCBCMDEMRO-UHFFFAOYSA-N	248.286	1.408	70	20	BDID	
COc1cccnc1NCC1CCOCC1	159449195	FRLYWKJIPHVZDA-UHFFFAOYSA-N	222.288	1.929	70	20	BDID	
C[C@H]1CN(c2ncccn2)C[C@H](C)N1C	217030167	TYLSXOKNYOFXJD-UWVGGRQHSA-N	206.293	1.005	70	20	BDID	
C[C@@H]1NCCC[C@H]1NC(=O)c1ccco1	160533643	LACVYFSLRCVWNG-DTWKUNHWSA-N	208.261	1.150	70	20	BDID	
Cc1ccc([C@H](C)CNC(=O)[C@H](C)N)cc1	161168410	XROWEUWUEBZEJO-MNOVXSKESA-N	220.316	1.562	70	20	BDID	
CN([C@H]1CCSC1)S(=O)(=O)CCCF	159373586	QFFFPRZGDCPCPV-QMMMGPOBSA-N	241.353	1.113	70	20	BDID	
CCCCN(C)CCCS(=O)(=O)C(C)C	160480171	MYQGDBRLRZFHRR-UHFFFAOYSA-N	235.393	1.932	70	20	BDID	
CCc1nc(CN[C@H](C)[C@@H](C)CC)n[nH]1	160454072	YCRUXUQLWCNSHX-DTWKUNHWSA-N	210.325	1.891	70	20	BDID	
N[C@@H]1CCC[C@H](NC(=O)c2cscn2)C1	160778799	PCJPHBJENOIOPL-SFYZADRCSA-N	225.317	1.143	70	20	BDID	
C[C@@H](CC(N)=O)N[C@H]1CCCC(C)(C)C1	160803550	LTDJFKWZBLDNAB-UWVGGRQHSA-N	212.337	1.809	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)c1ccon1	159591689	JPUGJPBGHAULOQ-DTWKUNHWSA-N	208.261	1.983	70	20	BDID	
CCS(=O)(=O)N1CC[C@@H](C)C[C@H](C)C1	159660426	ZXFOSNJNOPYFRN-ZJUUUORDSA-N	219.350	1.704	70	20	BDID	
CCOC[C@@H]1CCN(C(=O)CO[C@H](C)CC)C1	160391270	DWDARWINOVNGAS-VXGBXAGGSA-N	243.347	1.687	70	20	BDID	
CC1(C)C[C@H](Nc2cnccn2)CCO1	160563536	IUWCVSCMUZIEBB-SECBINFHSA-N	207.277	1.846	70	20	BDID	
NCC(=O)N[C@H]1CCC[C@@H]1c1ccccc1	159715055	LRDUUWQVZADGHI-NEPJUHHUSA-N	218.300	1.398	70	20	BDID	
COC[C@H](C)NC(=S)NC1(C)CCC1	159965932	FTDGEUGMYVABBT-QMMMGPOBSA-N	216.350	1.428	70	20	BDID	
CCOCCCN(C)CC(=O)OC(C)(C)C	160124305	LGNRKCQPVALAET-UHFFFAOYSA-N	231.336	1.687	70	20	BDID	
CCCC[C@H](C(=O)OC)N(CC)CCCO	160731267	NMVJCRNTJHSCTP-LLVKDONJSA-N	231.336	1.423	70	20	BDID	
N[C@@H]1CCC[C@H](NC(=O)C2CCCC2)C1	161396336	XPGAAYDDLOIKAG-MNOVXSKESA-N	210.321	1.563	70	20	BDID	
CS[C@H](C)CNC(=O)C(F)(F)F	159467998	LTNANYFDVZNHBE-SCSAIBSYSA-N	201.213	1.416	70	20	BDID	
CCCN(C(=O)N[C@H]1CCOC1)C1CC1	159564752	FFAKZINHRZOPCO-VIFPVBQESA-N	212.293	1.359	70	20	BDID	
N[C@H]1CCC[C@@H](NC(=O)CCc2ccccn2)C1	160996432	IYWVCNBLGIPULV-WCQYABFASA-N	247.342	1.400	70	20	BDID	
Cc1nn(C)c(C)c1[C@H](C)S(=O)(=O)Cl	88251375	ZMZRVZDMXRUXHG-ZETCQYMHSA-N	236.724	1.667	70	20	BDID	
CCCOC(=O)[C@H](C)N(C)Cc1cscn1	159644596	VATLCTCEJLXFDZ-VIFPVBQESA-N	242.344	1.917	70	20	BDID	
COc1ccccc1[C@@H]1CCN(C(=O)[C@H](C)N)C1	161437618	BKNMSFMGJHBIEH-WDEREUQCSA-N	248.326	1.358	70	20	BDID	
Cc1noc([C@@H]2COCCN2C2CCCC2)n1	160823908	RIZJZEOSJXXAMO-NSHDSACASA-N	237.303	1.694	70	20	BDID	
CC[C@@H](c1ccncc1)N(CC)C(N)=O	160827031	NFPJCXLZFLBPMU-JTQLQIEISA-N	207.277	1.933	70	20	BDID	
CC[C@@H](C)CS(=O)(=O)N(C)c1cnn(C)c1	160837933	OLQUFRCCICCTNB-SECBINFHSA-N	245.348	1.232	70	20	BDID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1cn[nH]c1	159828408	IVYJKUOSBUWLBC-XCBNKYQSSA-N	221.260	1.354	70	20	BDID	
COC(=O)[C@H](c1ccccc1)N(C)C[C@H](C)O	159384882	LNICVAIYJPZPIY-JQWIXIFHSA-N	237.299	1.213	70	20	BDID	
CC1(C)C(C(=O)N2CC[C@@H]3CNC[C@@H]32)C1(C)C	218381729	WQGSPPHLCXURNM-ZJUUUORDSA-N	236.359	1.489	70	20	BDID	
CN(C)[C@H](CNC(=O)C(F)F)c1cccs1	217620323	IMTJMTCSMKVUBR-SSDOTTSWSA-N	248.298	1.732	70	20	BDID	
CC[C@H](O)CCN[C@@H]1CCCOCC1	161472155	KZAIATAMJBYIQJ-MNOVXSKESA-N	201.310	1.306	70	20	BDID	
Cc1c(N)cc(S(=O)(=O)F)c(C)c1N	100552036	WVCUTLNQSHOQOQ-UHFFFAOYSA-N	218.253	1.126	70	20	BDID	
C[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C1CC1	161258808	SVSDLVCHUIZPMZ-ZWNOBZJWSA-N	232.327	1.471	70	20	BDID	
CNC(=O)c1ccc(C(=O)NCC(C)(C)C)cc1	159823269	PTJBGHLFMYNCQA-UHFFFAOYSA-N	248.326	1.822	70	20	BDID	
NC(=O)CC1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1	159732136	FUZHVMCKUFAXOD-MELADBBJSA-N	248.370	1.786	70	20	BDID	
Cc1ccc(CN(C)C(=O)N[C@@H]2CCOC2)cc1	159371714	QDACYNLFGIUVRD-CYBMUJFWSA-N	248.326	1.925	70	20	BDID	
Oc1cc(F)cc(CN2CCOCC2)c1	159811774	PTQYYLSHRCPDNC-UHFFFAOYSA-N	211.236	1.364	70	20	BDID	
CCN(CCCO)c1nc(C)cc(C)n1	160432610	NLJAGHJFIADCCK-UHFFFAOYSA-N	209.293	1.302	70	20	BDID	
CO[C@@H]1c2ccccc2C[C@@H]1S(=O)(=O)Cl	299805260	GKKJYTPZEQJRGA-VHSXEESVSA-N	246.715	1.867	70	20	BDID	
CCc1ncnc(N[C@@H]2CCOC2)c1F	218078138	COTXIOJPIWBJEJ-SSDOTTSWSA-N	211.240	1.379	70	20	BDID	
CCO[C@H]1C[C@H](NC(=O)[C@@H](C)N)C12CCCC2	161111912	KJLQENRHMSEIHQ-VWYCJHECSA-N	240.347	1.188	70	20	BDID	
CC[C@@]1(C)C[C@H]1C(=O)N(C)CC(=O)NC1CC1	160114792	LIQFXPDVTHNKRB-GWCFXTLKSA-N	238.331	1.160	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)C1[C@H]2CCC[C@H]12	160420533	NJYVUSIVZTXNEE-UTLUCORTSA-N	239.315	1.490	70	20	BDID	
Cc1c(/C=C/C(=O)NC2CCOCC2)cnn1C	160443191	GLHHHPHQQDJWIS-ONEGZZNKSA-N	249.314	1.037	70	20	BDID	
COCC(C)(C)C(=O)Nc1ccc(F)nc1	159955605	PIMVREXBIQRUDY-UHFFFAOYSA-N	226.251	1.832	70	20	BDID	
COCCCOC(=O)c1ccncc1F	161434363	RQLGUPYBYPLGET-UHFFFAOYSA-N	213.208	1.414	70	20	BDID	
Cc1cccc(C(=O)NC[C@@H]2CCOC2)c1F	161479027	WSMCMGQQYMREND-JTQLQIEISA-N	237.274	1.900	70	20	BDID	
C[C@@H](NCC1C2CC3CC(C2)CC1C3)C(N)=O	216898325	ISPBGSYALUEAKJ-GLFGPFBSSA-N	236.359	1.522	70	20	BDID	
NC(=O)Cc1cccc(OCc2nccs2)c1	161298662	YKFHRPGTGIOVHN-UHFFFAOYSA-N	248.307	1.750	70	20	BDID	
Cc1nsc(N[C@H](C)[C@H]2CCOC2)n1	161419469	MKOWSMYEOKPJQU-SVRRBLITSA-N	213.306	1.683	70	20	BDID	
COc1cc(OC)nc(NCCOC(C)C)n1	160606269	HYNMJDKPVXCOHC-UHFFFAOYSA-N	241.291	1.331	70	20	BDID	
C[C@H]1CC(NC(=O)NCC(F)F)C[C@H](C)O1	159609459	JHFDOXSQTQKJFM-BQBZGAKWSA-N	236.262	1.507	70	20	BDID	
COC(=O)CCNC(=O)[C@@H](C)c1cccc(C)c1	159417459	ZREHQHVSGGJLCL-NSHDSACASA-N	249.310	1.778	70	20	BDID	
C[C@H]1CCCn2c(S(=O)(=O)Cl)cnc21	100468261	QABARVZNMAMQGB-LURJTMIESA-N	234.708	1.708	70	20	BDID	
NC[C@H]1CCC[C@@H]1NCc1ccc(Cl)nc1	216715126	GUHNBXGHKHHQCL-MNOVXSKESA-N	239.750	1.952	70	20	BDID	
Cc1c(F)cccc1NC(=O)c1ccc(=O)[nH]n1	217734907	XYJRGBQQLMNVKB-UHFFFAOYSA-N	247.229	1.470	70	20	BDID	
CCN(CC(C)(C)O)[C@@H](C)CCOC	160723977	KROQMQBUFSNHCX-JTQLQIEISA-N	203.326	1.504	70	20	BDID	
C[C@@H](CO)Sc1nccn(C2CC2)c1=O	161196132	CONVZFOZYQNVTM-ZETCQYMHSA-N	226.301	1.051	70	20	BDID	
N[C@@H]1CCN(C(=O)C2(c3cccc(F)c3)CC2)C1	160275627	NXOJZBGRSGZSST-GFCCVEGCSA-N	248.301	1.417	70	20	BDID	
C[C@@H](NC(=O)CCN)[C@H](C)c1ccccc1	160889786	KCLQCMDUKQWTLT-WDEREUQCSA-N	220.316	1.644	70	20	BDID	
Cc1cc(NC(=O)C2CC=CC2)c[nH]c1=O	159476110	WIBKFWRAYCEUJZ-UHFFFAOYSA-N	218.256	1.588	70	20	BDID	
CC[C@H](C)[C@@H](O)CNC(=O)C(CC)(CC)CN	161224976	GFDUDDDNDZBJKF-QWRGUYRKSA-N	244.379	1.275	70	20	BDID	
CCCN1CCCN(C(=O)C(C)C)CC1	160357368	MTDSAXNPSAYZRV-UHFFFAOYSA-N	212.337	1.587	70	20	BDID	
CCCN(C(=O)N[C@@H]1CCOC1)C1CC1	159564614	FFAKZINHRZOPCO-SECBINFHSA-N	212.293	1.359	70	20	BDID	
Nc1ccc(Cl)cc1S(=O)(=O)F	238593465	JCAWNAJGYBRKOP-UHFFFAOYSA-N	209.629	1.580	70	20	BDID	
CC[C@@H](C)c1cc(C(=O)N(C)[C@@H](C)CO)on1	160453255	PYNMQTNQBLKQIP-BDAKNGLRSA-N	240.303	1.641	70	20	BDID	
CC[C@@]1(C)C[C@@H]1C(=O)N(CCOC)CCOC	160834507	FOZANHFWZNXKES-YPMHNXCESA-N	243.347	1.544	70	20	BDID	
CCC(C)(C)NC(=O)c1cnc2c(c1)ncn2C	159684375	FYPWAAKRICACGA-UHFFFAOYSA-N	246.314	1.887	70	20	BDID	
CN(Cc1ccccc1)C(=O)N[C@H]1CCOC1	159386518	BMMCMRSRCRWMSM-LBPRGKRZSA-N	234.299	1.617	70	20	BDID	
C[C@@H](NC[C@H]1CCOC1)c1cscn1	161166763	UJQDFMDQXNGWNS-RKDXNWHRSA-N	212.318	1.830	70	20	BDID	
C[C@H](O)CCNC(=O)/C=C\c1cccs1	217753216	JFBIXCHYBRISHN-WBSSQXGSSA-N	225.313	1.648	70	20	BDID	
N[C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)o2)C1	161134724	HHPGPBIHJAXRBG-JGVFFNPUSA-N	242.706	1.933	70	20	BDID	
CC[C@@H](N[C@H](C)CO)c1ccc(F)cn1	161316436	UYRXBKRYULEMLC-PSASIEDQSA-N	212.268	1.642	70	20	BDID	
CCCCO[C@@H](C)C(=O)N[C@H](CCO)C(C)C	160652768	KDPPKRIUJRSVGS-NWDGAFQWSA-N	245.363	1.715	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccncc1	160661932	IIMJBEUTKKBPTF-SECBINFHSA-N	236.271	1.153	70	20	BDID	
C[C@H](CNC(=O)N[C@H]1CCOC1)C(C)(C)C	159407805	GOTOPZZLGCNMAZ-ZJUUUORDSA-N	228.336	1.757	70	20	BDID	
COc1ccnc(N2CCOC[C@@H]2C2CC2)n1	159634896	QNVBDUDSRHJBJR-SNVBAGLBSA-N	235.287	1.100	70	20	BDID	
CC[C@]1(C)C[C@@H]1C(=O)NCCn1ccnc1	159790435	FDWYSNZLPYXMQA-ZYHUDNBSSA-N	221.304	1.436	70	20	BDID	
Cc1nc2n(c1S(=O)(=O)Cl)CCCCC2	238853889	LOHJJNDWGFWLOX-UHFFFAOYSA-N	248.735	1.845	70	20	BDID	
CC(C)SCC(=O)N[C@@H]1CCC[C@@H]1CO	217972876	INIHKJMBCHTWBR-NXEZZACHSA-N	231.361	1.405	70	20	BDID	
CCC[C@H]1CCc2c(sc(=O)n2CCO)C1	160001938	VFKDPCLYAOAFND-VIFPVBQESA-N	241.356	1.807	70	20	BDID	
CCCCO[C@H](C)C(=O)NCC(N)(CC)CC	160536276	RWKMHXYRKDGXEG-LLVKDONJSA-N	244.379	1.825	70	20	BDID	
C[C@@H](N)CN[C@H](C)Cc1ccccc1F	218300440	CGYUQCCQTUIIEZ-NXEZZACHSA-N	210.296	1.694	70	20	BDID	
C[C@H](CO)SCCOCC(F)(F)F	160735359	LFLQCMKUWOQSDK-ZCFIWIBFSA-N	218.240	1.679	70	20	BDID	
O=C(NC1(CO)CCC1)C1[C@H]2CCC[C@H]12	161096452	BDHKRTPHBSEOOF-IUCAKERBSA-N	209.289	1.064	70	20	BDID	
C[C@@H](NC1CCN(C)CC1)c1cscn1	161145724	KYJSALBUSZJJHZ-SECBINFHSA-N	225.361	1.888	70	20	BDID	
CNCCNCc1ccc(F)cc1Cl	161242078	QIOJNTHQCNRWDU-UHFFFAOYSA-N	216.687	1.788	70	20	BDID	
O=C(Nc1ccccc1F)N[C@@H]1CCOC1	159391684	DENRHPRLOAPVPG-MRVPVSSYSA-N	224.235	1.736	70	20	BDID	
CCn1nccc1CNc1nccs1	160210936	BBFPCITWFUNAEC-UHFFFAOYSA-N	208.290	1.972	70	20	BDID	
CC[C@@H](C)N(C)CCNCc1nccs1	218184867	HPUZFBDFEKZXIG-SNVBAGLBSA-N	227.377	1.963	70	20	BDID	
CC[C@@H](C)OCC(=O)NCc1c(C)noc1C	161204801	FKDWDUGNCGLGFR-MRVPVSSYSA-N	240.303	1.723	70	20	BDID	
CC(C)(N)CNC(=O)[C@@H]1C[C@H]1c1cccnc1	160045951	YFIHTJQWOLPSPB-WDEREUQCSA-N	233.315	1.039	70	20	BDID	
CCCCCC(=O)NC1(C)CCNCC1	160572152	VJSZPCCALFLIAX-UHFFFAOYSA-N	212.337	1.825	70	20	BDID	
CCCC(=O)N[C@H](C)CC(=O)OCC	160716299	YUQFVSKGTHLMON-MRVPVSSYSA-N	201.266	1.244	70	20	BDID	
CN1CCN(Cc2cc(O)cc(F)c2)CC1	159812884	PBRGFFABHYMVGJ-UHFFFAOYSA-N	224.279	1.279	70	20	BDID	
COc1ccnc(NCC(F)(F)F)n1	159585159	OSDGNNOQUIQLNY-UHFFFAOYSA-N	207.155	1.459	70	20	BDID	
COC[C@@H](C)NC(=S)N[C@H](C)CC(C)C	159572223	FAXAZUYAELHDFD-NXEZZACHSA-N	232.393	1.920	70	20	BDID	
Cc1nc(Cl)cc(N2CCC[C@](C)(O)C2)n1	160843968	XNJRYJNQVUWLFB-NSHDSACASA-N	241.722	1.790	70	20	BDID	
CC[C@H](O)CCN[C@H](C)c1ccncc1	161238024	DQKKQPUPJDLETI-PWSUYJOCSA-N	208.305	1.893	70	20	BDID	
Cn1nc(CS(=O)(=O)Cl)c2ccccc21	91323572	WAQPIYYFTCYROP-UHFFFAOYSA-N	244.703	1.642	70	20	BDID	
O=c1cc2c(nn1Cc1nccs1)CCCC2	161296519	FNSYBSZGZRBEPM-UHFFFAOYSA-N	247.323	1.627	70	20	BDID	
C[C@@H](C1CCOCC1)S(=O)(=O)Cl	259557642	VDQDTOZMIGGQSC-LURJTMIESA-N	212.698	1.370	70	20	BDID	
CCCC1(CNC(=O)[C@H]2CCCN2C)CC1	160657740	LQMYLRFVKIDCCY-LLVKDONJSA-N	224.348	1.777	70	20	BDID	
CO[C@H](C)C(=O)N[C@@H]1CCOC2(CCCC2)C1	159459594	PBDHVCNYFMXSBP-GHMZBOCLSA-N	241.331	1.629	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)Cc1cc(C)[nH]n1	159705353	LEMILMURLJDYQB-CMPLNLGQSA-N	235.331	1.956	70	20	BDID	
CCCN(CC1CC1)C(=O)N[C@H]1CCOC1	159566703	FGGTUJNPXGJZAV-NSHDSACASA-N	226.320	1.607	70	20	BDID	
COCc1cccc(CS(=O)(=O)Cl)c1	203535507	OZPKDYDKKCKGRY-UHFFFAOYSA-N	234.704	1.902	70	20	BDID	
CN(Cc1ccccc1)C(=O)N[C@@H]1CCOC1	159386414	BMMCMRSRCRWMSM-GFCCVEGCSA-N	234.299	1.617	70	20	BDID	
CSCCCCC(=O)NCC(C)(C)N	159969485	XJCCPRXMNMHCDL-UHFFFAOYSA-N	218.366	1.373	70	20	BDID	
CSCCCOc1ccc(CO)nc1	160547701	SAKUGHOISTXAEA-UHFFFAOYSA-N	213.302	1.706	70	20	BDID	
CC1(NC(=O)[C@@H]2CC23CCNCC3)CC1	160698533	DORQNMPBCKTROX-VIFPVBQESA-N	208.305	1.045	70	20	BDID	
Cc1cnccc1CNCCOC(C)C	160606752	LMTFSPWTKVRVHF-UHFFFAOYSA-N	208.305	1.905	70	20	BDID	
CCOCCN(C)Cc1ccc(CO)o1	161234211	OZAQAEQKQLMRTM-UHFFFAOYSA-N	213.277	1.240	70	20	BDID	
C[C@@H]1CC[C@@H](C(=O)Nc2ncccc2O)O1	159561483	PFDBEXDNCYYKTK-APPZFPTMSA-N	222.244	1.293	70	20	BDID	
CCN(C(=O)NCC1(CCOC)CC1)C1CC1	161135208	HRCVYLJJVYSOPP-UHFFFAOYSA-N	240.347	1.997	70	20	BDID	
CC[C@H]1CN(S(=O)(=O)Cl)C[C@@H](CC)O1	307338653	UXNIMNPEMSJYNX-OCAPTIKFSA-N	241.740	1.359	70	20	BDID	
NC(=O)[C@@H]1CCCN1C/C=C/c1ccc(F)cc1	160347355	MFFKAOLXICZSKI-CHWPNHQFSA-N	248.301	1.789	70	20	BDID	
COC(=O)[C@@H](C)CNC(=O)c1cc(C)c(C)o1	159788362	PIJAOZTWIOJUGI-QMMMGPOBSA-N	239.271	1.435	70	20	BDID	
CC(=O)c1cc(S(=O)(=O)Cl)cs1	104544907	APONHPQHPLQQGU-UHFFFAOYSA-N	224.690	1.878	70	20	BDID	
COC[C@@H](C)NC(=S)NC[C@H](C)SC	159576126	PCXVOAXFYGVOGQ-SFYZADRCSA-N	236.406	1.237	70	20	BDID	
C[C@H]1COCCN1C(=O)c1ccncc1F	161389476	XUHAGGPAGPTPHE-QMMMGPOBSA-N	224.235	1.082	70	20	BDID	
CN(Cc1cncs1)CC1CC(O)C1	159752178	VURGQGPKWMYJGU-UHFFFAOYSA-N	212.318	1.346	70	20	BDID	
C[C@H]1CCCC[C@H]1CNC(=O)[C@H](C)CN	218384543	PZCYFOAPZIWFIE-AXFHLTTASA-N	212.337	1.524	70	20	BDID	
CCCC[C@H](COC)NC(=O)CCNC(C)C	161165434	VZEIPUPORGHQCP-GFCCVEGCSA-N	244.379	1.696	70	20	BDID	
Nc1ccccc1C(=O)N1C[C@@H]2CCC[C@H](C1)N2	159902681	RREAAVFENFNKTM-PHIMTYICSA-N	245.326	1.235	70	20	BDID	
CCN(CC(=O)NC(C)C)CC(C)(C)C	160411599	OCBHMAHIKBRGIU-UHFFFAOYSA-N	214.353	1.879	70	20	BDID	
CCCCOCCOCCS(=O)(=O)Cl	112155318	QGVFPKBNMVVBLX-UHFFFAOYSA-N	244.740	1.388	70	20	BDID	
Cc1cccc(NC(=O)N[C@H]2CCOC2)c1	159388918	YHWLDOGBLRWJEC-NSHDSACASA-N	220.272	1.905	70	20	BDID	
CCCN(CCO)Cc1ccc(OC)c(O)c1	161211869	DFBDCMMDODRFBU-UHFFFAOYSA-N	239.315	1.605	70	20	BDID	
CCC[C@H](C)C(=O)N[C@H](C)CC(=O)OCC	160734105	UGGAZADADZSUGM-VHSXEESVSA-N	229.320	1.881	70	20	BDID	
CC(C)NS(=O)(=O)N[C@H]1CC[C@@H](C)C1	160464162	XBPKBTFRHPEIGW-BDAKNGLRSA-N	220.338	1.007	70	20	BDID	
CNC(=O)[C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C	159408598	VELXQBSBYVBFLL-IUCAKERBSA-N	242.319	1.426	70	20	BDID	
C[C@@H](Cn1cccn1)NCC[C@H]1CCCCO1	159523828	VUSACRLUMBWQCP-QWHCGFSZSA-N	237.347	1.820	70	20	BDID	
C[C@H]1CCCN(C(=O)N(C)C2CCOCC2)C1	160366895	NJZVKBDHRVZFOZ-NSHDSACASA-N	240.347	1.949	70	20	BDID	
COCCCNC(=O)c1cccn1C(C)C	161368239	WMRNJRBNVIYKCX-UHFFFAOYSA-N	224.304	1.835	70	20	BDID	
CCOC[C@@H](O)CN[C@H](CC)CSC	217330063	OXPKMETULFJWHK-ZJUUUORDSA-N	221.366	1.115	70	20	BDID	
CONC(=O)NC[C@H](C)c1ncc(C)s1	159663250	UMIWHWBCIITQPL-LURJTMIESA-N	229.305	1.416	70	20	BDID	
CCCN(CCO)CCCN1CCCCC1	161276346	XNLAXDXGIULPAN-UHFFFAOYSA-N	228.380	1.567	70	20	BDID	
COC[C@H]1CCN(C(=O)N2CCC(C)CC2)C1	160617222	MIZNOEYLDSVBNJ-LBPRGKRZSA-N	240.347	1.807	70	20	BDID	
O=S(=O)(Cl)Cc1cccc(Cl)n1	103595371	OQLCUTQCMPCQSE-UHFFFAOYSA-N	226.084	1.804	70	20	BDID	
CCc1ccc(CS(=O)(=O)Cl)nc1	118897719	UIZPWNXTFPILGC-UHFFFAOYSA-N	219.693	1.713	70	20	BDID	
COc1cc(C)nc(NCCc2ccccn2)n1	161089702	MICPYCGFSUKWOS-UHFFFAOYSA-N	244.298	1.843	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)C(C)(C)C	160219815	FJWYNSPTQZMSDN-MRVPVSSYSA-N	215.293	1.490	70	20	BDID	
CS[C@@H](C)CC(=O)NC[C@H]1CCN(C)C1	160655033	BVCXFVCDVYFFHZ-VHSXEESVSA-N	230.377	1.196	70	20	BDID	
CC(=O)N1CCC[C@@H](C(=O)NC2CC=CC2)C1	160857364	WMZQOIFBDNJFKW-LLVKDONJSA-N	236.315	1.080	70	20	BDID	
CN(Cc1ccoc1)C(=O)N[C@H]1CCOC1	159447431	SDVXQUBQVJTWPK-JTQLQIEISA-N	224.260	1.210	70	20	BDID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)Nc1cnn(C)c1	159893282	OMQAJHFZEBQESD-KCJUWKMLSA-N	235.287	1.364	70	20	BDID	
CC[C@@H]1CN(C[C@](C)(O)CC)C[C@H](C)O1	161056292	RZMSSWBCTMDXHK-QJPTWQEYSA-N	215.337	1.647	70	20	BDID	
OCCN[C@@H]1CCSc2ccc(F)cc21	159672355	WXLIAYQKNRZHJX-SNVBAGLBSA-N	227.304	1.945	70	20	BDID	
CNCCNCc1c(F)cccc1F	161232486	VRCACNGYKMGQBP-UHFFFAOYSA-N	200.232	1.274	70	20	BDID	
C[C@H](CS(=O)(=O)Cl)[C@H]1CCCCO1	216250113	JGVLYAKAFMZVII-HTQZYQBOSA-N	226.725	1.760	70	20	BDID	
CCC[C@](C)(O)CNC(=O)NC1CCC1	217939793	WJPVCWWCQSFEHM-NSHDSACASA-N	214.309	1.389	70	20	BDID	
CCCCOCCCNC(=O)[C@@H]1CCCCO1	161023904	UXPAELBOTHFLPN-LBPRGKRZSA-N	243.347	1.879	70	20	BDID	
CNCCNCc1ccc(Cl)cc1F	161257251	ASRTUTQCCDJLCF-UHFFFAOYSA-N	216.687	1.788	70	20	BDID	
CONC(=O)c1cccc(NC(=O)N(C)C)c1	159423925	FZBQRTCMKOITDJ-UHFFFAOYSA-N	237.259	1.071	70	20	BDID	
Cc1ccccc1C1(C(=O)NCC(C)(C)N)CC1	159947792	PJJWERIHTAADLI-UHFFFAOYSA-N	246.354	1.880	70	20	BDID	
C[C@@H]1C[C@@H](C)CN(Cc2nncn2C)C1	160674735	PMBYTIODFVEBOC-NXEZZACHSA-N	208.309	1.293	70	20	BDID	
COc1ccc2c(c1)CCN(S(=O)(=O)F)C2	1887578912	GBXFOTWIKOSCPL-UHFFFAOYSA-N	245.275	1.268	70	20	BDID	
CCN(CCOC)c1cc(C(=O)OC)ccn1	218123925	XCFYUOWMCAHJBL-UHFFFAOYSA-N	238.287	1.341	70	20	BDID	
CCCCNC(=O)c1cc(S(=O)(=O)F)c[nH]1	1336920705	KFFLRZUOKFZIQS-UHFFFAOYSA-N	248.279	1.203	70	20	BDID	
CC[C@H]1CN(C(=O)N[C@H]2CCOC2)CCS1	159450038	QCALRTFKKRFUSF-UWVGGRQHSA-N	244.360	1.312	70	20	BDID	
C[C@H](CNCC1(C)COC1)N(C)C1CC1	217543314	DHGJIRTWXJHYSM-SNVBAGLBSA-N	212.337	1.095	70	20	BDID	
CC[C@@H](CC(=O)NCC[C@H](O)COC)C(C)C	161099924	VWMLYIKAQGYYTM-RYUDHWBXSA-N	245.363	1.572	70	20	BDID	
CNCC(=O)NCC1(c2cccc(F)c2)CC1	160541796	VVFPSTADUJGTLQ-UHFFFAOYSA-N	236.290	1.193	70	20	BDID	
CN(Cc1cccn1C)C(=O)[C@H]1CCOC1	160798570	LSTRXJGQYUDGBK-JTQLQIEISA-N	222.288	1.020	70	20	BDID	
C1CC[C@H]2[C@@H](C1)CCN2Cc1nnnn1C1CC1	159695176	MXHBXNDRNOOZEI-JQWIXIFHSA-N	247.346	1.773	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCC(=O)NC1	159677705	UCOFWSITNYXNLO-MXWKQRLJSA-N	238.331	1.208	70	20	BDID	
CC[C@@H](O)[C@H]1CCCCN1CCn1ccnc1	159842398	YYBHZIBZWILUFQ-CHWSQXEVSA-N	237.347	1.509	70	20	BDID	
C[C@@H]1CN(C(=O)c2ccccc2N)C[C@@H](C)N1	161276735	NLQLOPFUNBQNEK-NXEZZACHSA-N	233.315	1.091	70	20	BDID	
O=S(=O)(Cl)CCCOC[C@@H]1CCCO1	114257782	HCBPNOCTKGUXKL-QMMMGPOBSA-N	242.724	1.141	70	20	BDID	
CO[C@H](C)C(=O)Nc1ccc(C)c(O)c1	160865320	HAYSPJJVEIXUPN-MRVPVSSYSA-N	209.245	1.674	70	20	BDID	
COc1cc(F)cc(CS(=O)(=O)Cl)c1	258175862	FFXCVPPIOBZEGJ-UHFFFAOYSA-N	238.667	1.903	70	20	BDID	
CN(CC1CCC1)C(=O)N[C@H]1CCOC1	159458754	WAZJPWPESLCVMW-JTQLQIEISA-N	212.293	1.217	70	20	BDID	
C[C@@H]1CCCN1C(=O)NCCc1cscn1	159495975	NPTBOAWZYQFEES-SECBINFHSA-N	239.344	1.880	70	20	BDID	
Cc1cnc(NC(=O)[C@@H]2CCCCO2)s1	159706628	MQHXWRDMOWJGPG-QMMMGPOBSA-N	226.301	1.959	70	20	BDID	
CCC[C@@H](CC)NC(=O)N[C@H]1CCOC1	159396262	KVNXRJRKLSMUDO-ZJUUUORDSA-N	214.309	1.653	70	20	BDID	
CCC[C@](C)(N)C(=O)N(C)CCSC	159597772	FEOJTLZFCYCVAQ-JTQLQIEISA-N	218.366	1.325	70	20	BDID	
N[C@H]1CCC[C@@H](NC(=O)CCC2CCC2)C1	161270295	AFZIATOHCCGWHP-NWDGAFQWSA-N	224.348	1.953	70	20	BDID	
C/C=C/C=C\C(=O)NC[C@@H]1CCCNC1	217462777	UDZMSFCCBIFGIR-XPILNJTPSA-N	208.305	1.235	70	20	BDID	
CC/C=C(\C)C(=O)N(C)Cc1cn[nH]c1	216681996	MNIPCPLRUGCVLF-WEVVVXLNSA-N	207.277	1.724	70	20	BDID	
COC(=O)CN(C)C[C@H]1CCC(C)(C)O1	159602699	IRTPIGYHRKWIPZ-SECBINFHSA-N	215.293	1.049	70	20	BDID	
OCCNCc1cc(Cl)cc2c1OCC2	159742581	AQQPNDWGBUDSTA-UHFFFAOYSA-N	227.691	1.357	70	20	BDID	
O=C(c1c[nH]nn1)N1CCc2c(F)cccc2C1	160946905	HXAQVSFZVIHQFR-UHFFFAOYSA-N	246.245	1.142	70	20	BDID	
Cc1ccc(S(=O)(=O)Cl)c(C(=O)O)c1	100445374	UMUMRWQHEYXGBF-UHFFFAOYSA-N	234.660	1.621	70	20	BDID	
CC[C@H](N)C(=O)N[C@H](C)Cc1c(C)noc1C	161365071	OZPWQMOESSGUCO-HQJQHLMTSA-N	239.319	1.076	70	20	BDID	
CCC[C@@H](C)C(=O)N[C@H](C)CC(=O)OCC	160733971	UGGAZADADZSUGM-NXEZZACHSA-N	229.320	1.881	70	20	BDID	
Cc1noc(CCC(=O)NC2CC=CC2)n1	160915426	ODKNIIPMIGYNLB-UHFFFAOYSA-N	221.260	1.145	70	20	BDID	
CSCCCN1CCC(OCCO)CC1	160286200	LZDNRJHZDFKXEZ-UHFFFAOYSA-N	233.377	1.213	70	20	BDID	
CC[C@@H](C)[C@H](N)C(=O)NCC1(C)CCC1	160829925	ZVXFGZZXKVOEGI-ZJUUUORDSA-N	212.337	1.666	70	20	BDID	
COc1ccccc1[C@@H]1CCN(C(=O)[C@@H](C)N)C1	161437921	BKNMSFMGJHBIEH-GHMZBOCLSA-N	248.326	1.358	70	20	BDID	
COC[C@H]1CCN(C(=O)N2CCCCCC2)C1	160617093	ZHYBGBHYGDLMFS-LBPRGKRZSA-N	240.347	1.951	70	20	BDID	
CCCC1(CNC(=O)c2cocn2)CC1	160757151	NLTKUXRBZQLKFY-UHFFFAOYSA-N	208.261	1.985	70	20	BDID	
Cc1cc(C)nc(NC[C@H](O)C(C)C)n1	160429046	ZYBSTLHBNJEKSU-JTQLQIEISA-N	209.293	1.522	70	20	BDID	
CC(C)OC(=O)CN1CC[C@H](C)[C@@H](C)C1	160978367	JBNRRNJZIGBBAL-QWRGUYRKSA-N	213.321	1.916	70	20	BDID	
CCCCOCC(=O)N[C@H](C)CC(=O)OCC	160629046	CUGJDGUBJUYBBJ-SNVBAGLBSA-N	245.319	1.261	70	20	BDID	
C[C@H]1CCCCN1C(=O)[C@H]1CCCCO1	159628639	LHJKSYYWOHOGBQ-WDEREUQCSA-N	211.305	1.957	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)Cc1cc(C)[nH]n1	159705200	LEMILMURLJDYQB-ZYHUDNBSSA-N	235.331	1.956	70	20	BDID	
Cc1ccsc1CNC(=O)N[C@H]1CCOC1	159395317	UAIFNRLIVWSKGW-VIFPVBQESA-N	240.328	1.645	70	20	BDID	
COCC(C)(C)C(=O)NCCSC	159459523	MRNDAYOHERLEOY-UHFFFAOYSA-N	205.323	1.138	70	20	BDID	
CCC(C)(CC)C(=O)N[C@@H](C)CCO	159441849	KIKVZUNILIFURX-VIFPVBQESA-N	201.310	1.700	70	20	BDID	
CC[C@H](NCCC(C)(C)O)[C@@H]1CCCO1	159757074	YCUUVMVEAXARRR-QWRGUYRKSA-N	215.337	1.695	70	20	BDID	
CSC[C@H](CCO)N[C@H](C)c1cncs1	160232502	KHMPKBFZXKZUGK-BDAKNGLRSA-N	246.401	1.908	70	20	BDID	
CC(=O)[C@@]1(CCS(=O)(=O)F)CCCC1=O	883954392	LIPKOMJLKIXDMF-VIFPVBQESA-N	236.264	1.004	70	20	BDID	
CCC[C@@H](O)CN[C@H]1CCOC(C)(C)C1	217739604	BPIKKAGBROADHS-WDEREUQCSA-N	215.337	1.695	70	20	BDID	
Cc1cccc(C(=O)NCc2cnn(C)c2)c1F	161488688	CHZZQUKHXADIMS-UHFFFAOYSA-N	247.273	1.798	70	20	BDID	
C[C@@H](NC(=O)N[C@H]1CCOC1)C1CCC1	160200349	IWGYBBKFYJDCKU-SCZZXKLOSA-N	212.293	1.263	70	20	BDID	
Cc1nccc(C(=O)N(C)Cc2cccn2C)n1	160546919	LDMYXWMCVQPGQG-UHFFFAOYSA-N	244.298	1.396	70	20	BDID	
C[C@H](CNC(=O)N[C@@H]1CCOC1)C1CC1	159423541	ZTBOJZCGODAVPB-PSASIEDQSA-N	212.293	1.121	70	20	BDID	
CC[C@@H](C)N(C)C(=O)N[C@@H]1CCOC1	159545144	YVMLQWWQXKHLJH-RKDXNWHRSA-N	200.282	1.215	70	20	BDID	
O=C(NCc1ccc[nH]1)[C@@H]1CCCCO1	159788401	IPHHJTSNLOAGIE-JTQLQIEISA-N	208.261	1.200	70	20	BDID	
COC(=O)C[C@H]1CCCCN1CCCF	161075019	VAKZHPUEKCUINN-SNVBAGLBSA-N	217.284	1.764	70	20	BDID	
C1COCC[C@@H](NC[C@@H]2CSCCS2)C1	161466590	MFBTVSNWRSKHSQ-WDEREUQCSA-N	247.429	1.994	70	20	BDID	
CCCC[C@@H](COC)NC(=O)[C@H]1CCCNC1	161166330	XJORTUXKJKUFMM-RYUDHWBXSA-N	242.363	1.307	70	20	BDID	
C[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCN(C)C2)C1	161309206	QVYPOHXYNLHBPN-AGIUHOORSA-N	238.375	1.881	70	20	BDID	
CCC[C@H](C)CC(=O)NCC[C@@H](O)COC	161397574	FBBCIPLDSZDGTF-WDEREUQCSA-N	231.336	1.326	70	20	BDID	
CC1CCC(N(C)S(=O)(=O)Cl)CC1	104754208	NFHRQEKRQXVKSI-UHFFFAOYSA-N	225.741	1.981	70	20	BDID	
C[C@@H](c1nnc(S(=O)(=O)Cl)n1C)C1CC1	227589510	XYEYULLPHIPAQW-RXMQYKEDSA-N	249.723	1.256	70	20	BDID	
CCn1ccc(C(=O)OC(C)C)cc1=O	161038139	LNPOEFXQZVSWGE-UHFFFAOYSA-N	209.245	1.433	70	20	BDID	
CC1(C)NC(=O)N(CCSCCCF)C1=O	161277597	RAZSEVJSHOZLAL-UHFFFAOYSA-N	248.323	1.410	70	20	BDID	
C[C@H]1CC[C@@H](C)N1C(=O)C(=O)c1cnn(C)c1	161493814	SNMVBZJRLAHAOV-DTORHVGOSA-N	235.287	1.002	70	20	BDID	
C[C@H]1CN(C(N)=O)C[C@@H](c2ccsc2)O1	160178577	PSQJGXQYZOMLFH-CBAPKCEASA-N	226.301	1.589	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1cc(C)no1	160216936	CXULSVUSHZIAOG-SSDOTTSWSA-N	240.259	1.055	70	20	BDID	
CCN(CC1CC1)C(=O)N[C@@H]1CCOC1	159569144	AUDMOYFXSHMACM-SNVBAGLBSA-N	212.293	1.217	70	20	BDID	
C[C@H](N)C(=O)N1CCCC2(CCCCC2)C1	159858411	UGRNLCVBIYIZED-NSHDSACASA-N	224.348	1.907	70	20	BDID	
Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H](C2)N3)o1	159846660	DQHYOHWGOUTSGD-PHIMTYICSA-N	234.299	1.555	70	20	BDID	
CCN(CCCO)C(=O)C1(C)CCCC1	160294245	JTBGAJZIARAMMF-UHFFFAOYSA-N	213.321	1.798	70	20	BDID	
C[C@@H]1NCCC[C@H]1NC(=O)c1cscn1	160537782	VJBPNENHPSOACP-JGVFFNPUSA-N	225.317	1.013	70	20	BDID	
CO[C@H]1CCC[C@H](S(=O)(=O)Cl)C1	157450959	HWAUOHSZLJFCHX-BQBZGAKWSA-N	212.698	1.513	70	20	BDID	
COCCCCC(=O)N[C@H]1CCC[C@@H](N)C1	161042704	KEBKXDIVNUZKST-MNOVXSKESA-N	228.336	1.189	70	20	BDID	
COCCC(=O)N[C@@H]1CCOC2(CCCC2)C1	159589709	NBIKVPFDGYJHLL-LLVKDONJSA-N	241.331	1.631	70	20	BDID	
O=C(NC[C@H]1Cc2ccccc21)N[C@H]1CCOC1	159383140	QJMZRYMNZYJPFQ-NEPJUHHUSA-N	246.310	1.414	70	20	BDID	
CCOCCCN[C@H]1C[C@H](O)C1(C)C	159546731	QVACMXGTVBHBKW-UWVGGRQHSA-N	201.310	1.162	70	20	BDID	
CCN(CCCO)C(=O)c1sccc1C	160287005	VERCDGGQTDRDCQ-UHFFFAOYSA-N	227.329	1.901	70	20	BDID	
CSCCN(C)Cc1cccnc1N	160165701	YPJIMBZUFPLNAB-UHFFFAOYSA-N	211.334	1.459	70	20	BDID	
CCC[C@@H](O)CN[C@@H](C)c1ccncc1	161234128	BIMJMHJOLHXZKY-CMPLNLGQSA-N	208.305	1.893	70	20	BDID	
Cc1cc(NCCCC(=O)OC(C)C)ncn1	160249452	WJTGCAASLIQMRJ-UHFFFAOYSA-N	237.303	1.929	70	20	BDID	
O=S(=O)(F)c1ccc2c(c1)CCCO2	105870766	IRXVSDZNRGPQLM-UHFFFAOYSA-N	216.233	1.670	70	20	BDID	
CSC[C@](C)(O)CNC(=O)C=C(C)C	217656098	KEYJADKXOKITAC-SNVBAGLBSA-N	217.334	1.183	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)c1ccc(=O)n(C)n1	159579350	ARZVGLKKSSEDRH-VHSXEESVSA-N	249.314	1.089	70	20	BDID	
COC(=O)CCNC(=O)[C@@H]1CCC[C@H](C)C1	159837419	GCRGCQLBOMZPMV-VHSXEESVSA-N	227.304	1.492	70	20	BDID	
CCc1ncnc(NC[C@H]2CCOC2)c1F	217989342	ILHHTULRKQZIFD-MRVPVSSYSA-N	225.267	1.627	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)[C@@H](C)NC(C)=O	159781242	ILJXDLWEXCNHQP-FBIMIBRVSA-N	226.320	1.206	70	20	BDID	
CC[C@H](CSC)N[C@@H]1CCCNC(=O)C1	217329518	MRWXWFZHCXYIDD-NXEZZACHSA-N	230.377	1.386	70	20	BDID	
CC[C@H](O)CCNCC1CCN(C)CC1	218766145	RRHWJUNCVVLPOK-LBPRGKRZSA-N	214.353	1.079	70	20	BDID	
CNCCNCc1cccc(Br)c1	161284538	OBHMNQJGBRJYER-UHFFFAOYSA-N	243.148	1.758	70	20	BDID	
CCCN(C(=O)[C@@H]1CCn2ccnc2C1)C1CC1	161401503	JTLFEHCLYVEHLE-LLVKDONJSA-N	247.342	1.847	70	20	BDID	
Cc1cnc(C(=O)N(C)Cc2cccn2C)cn1	160352493	ZGPARBOLBRLRLR-UHFFFAOYSA-N	244.298	1.396	70	20	BDID	
CC[C@@H](C(=O)N[C@H](C)CC(C)(C)OC)N(C)C	160894032	QMDRCNKDOAJJAZ-MNOVXSKESA-N	244.379	1.646	70	20	BDID	
CCCN(Cc1nncn1C)CC(F)F	160884922	YVSXSDKDRQFBQR-UHFFFAOYSA-N	218.251	1.292	70	20	BDID	
Cc1cccc(C(=O)N2CCO[C@H](C)C2)c1F	161426850	JGTUWFUWPVCJAR-SNVBAGLBSA-N	237.274	1.995	70	20	BDID	
CC[C@@H]1C[C@@H](S(=O)(=O)Cl)CCO1	112132170	CFOTZHJKEODDHJ-RQJHMYQMSA-N	212.698	1.513	70	20	BDID	
COc1ncccc1CS(=O)(=O)Cl	124828644	JCMZNFBXBXIFHX-UHFFFAOYSA-N	221.665	1.159	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1cccn1C	160220065	VDVXMFLLUOUKLW-SECBINFHSA-N	238.287	1.097	70	20	BDID	
CC(C)CCN(C)C(=O)N[C@H]1CCOC1	159438617	ZLGGMTNDJNNDIH-JTQLQIEISA-N	214.309	1.463	70	20	BDID	
CCC[C@@H](C)C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160359266	BSWUPDDERDFCCP-UTUOFQBUSA-N	224.348	1.776	70	20	BDID	
CNCC(=O)NC[C@H](C)Cc1cccs1	161092809	PRYKPRGBINGORK-SECBINFHSA-N	226.345	1.262	70	20	BDID	
O=S(=O)(Cl)CC(Cl)(Cl)Cl	104540710	CNWRAKGWZMUEAT-UHFFFAOYSA-N	231.915	1.925	70	20	BDID	
CCC1(CC)CN(S(=O)(=O)Cl)C(=O)O1	97945859	JFAZWMBRQGQXIG-UHFFFAOYSA-N	241.696	1.481	70	20	BDID	
COc1cccnc1NCC(C)(C)N(C)C	160221084	NIYJDDKAMXVRBF-UHFFFAOYSA-N	223.320	1.842	70	20	BDID	
CC[C@H](C)[C@@H](C)NC(=O)N[C@@H]1CCOC1	159392653	DUXAITPEHJFBJF-IVZWLZJFSA-N	214.309	1.509	70	20	BDID	
CCSCCN1CCNC(=O)[C@H]1C(C)C	160450145	PIDMZQHFDLCTAB-SNVBAGLBSA-N	230.377	1.196	70	20	BDID	
CCN(CCCS(=O)(=O)C(C)C)C1CC1	160766191	HUSIGIHBESYFEA-UHFFFAOYSA-N	233.377	1.684	70	20	BDID	
CC(C)S(=O)(=O)CCCN(C)[C@H](C)C1CC1	161012312	QMUYXGTVMJRMFO-LLVKDONJSA-N	247.404	1.930	70	20	BDID	
CC[C@@H]1CCCC[C@H]1NCC1(CO)COC1	161431581	JZOZRHBOLXYSFU-VXGBXAGGSA-N	227.348	1.554	70	20	BDID	
C[C@@H](OC[C@H]1CCCO1)C(=O)NC1CC=CC1	161009440	LAGLCTMXERVEHZ-ZYHUDNBSSA-N	239.315	1.405	70	20	BDID	
C[C@@H](N)C(=O)N[C@H]1C[C@@H]1c1c(F)cccc1F	161020387	LUAMPLPTCPHPQA-FWWHASMVSA-N	240.253	1.284	70	20	BDID	
C[C@]1(Nc2ncnc3c2CCCC3)CCOC1	160008257	DLBGKWBBBSUTKV-ZDUSSCGKSA-N	233.315	1.946	70	20	BDID	
Cc1cc(C(=O)NC[C@@H]2CCCCO2)ncn1	160111148	OYSPRYJCPWLWJR-JTQLQIEISA-N	235.287	1.084	70	20	BDID	
CNCC(=O)NCCc1cc(C)cc(C)c1	160590205	VJGINCLBNQLKQZ-UHFFFAOYSA-N	220.316	1.182	70	20	BDID	
NCCCCNc1ccncc1Br	159802848	CIAIIHCRWHFEHW-UHFFFAOYSA-N	244.136	1.995	70	20	BDID	
CC(C)C[C@@H](C)NC(=O)NCCn1cccn1	159688021	JPRPCGOHWWCDCY-LLVKDONJSA-N	238.335	1.617	70	20	BDID	
CCN(CC(C)C)C(=O)N[C@@H]1CCOC1	159558289	XAOGTBMATQUUJS-SNVBAGLBSA-N	214.309	1.463	70	20	BDID	
COCCOCCCCNc1ccc(C)nn1	159399145	BRSXNEXMIVFQSH-UHFFFAOYSA-N	239.319	1.640	70	20	BDID	
CC(C)C[C@H]1CCN(C(=O)C2CCNCC2)C1	159610396	FAOYAKCTEZTJCC-GFCCVEGCSA-N	238.375	1.881	70	20	BDID	
C[C@H](NC[C@H]1CCOC1)c1cscn1	161166633	UJQDFMDQXNGWNS-DTWKUNHWSA-N	212.318	1.830	70	20	BDID	
CCC(C)(CC)C(=O)NCCCOCCO	159461968	UXXZKLMYBBNBKQ-UHFFFAOYSA-N	231.336	1.328	70	20	BDID	
COCCNC(=S)NCC(C)(C)C(C)C	218745310	GGGPDRAOPLRFEI-UHFFFAOYSA-N	232.393	1.779	70	20	BDID	
Cn1nccc1Cn1nnc(-c2ccccc2)n1	161162535	CZMWOLGJULTJOV-UHFFFAOYSA-N	240.270	1.122	70	20	BDID	
Cc1ccc2cccc(C(=O)NCCCN)c2n1	160018170	SKYQGYLLWWYWBG-UHFFFAOYSA-N	243.310	1.622	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)[C@H](C(C)C)N(C)C	160631496	FGOULWFDZZDYNL-NEPJUHHUSA-N	244.379	1.096	70	20	BDID	
CCC(=O)N[C@H]1CCCN(C[C@](C)(O)CC)C1	160758204	WDIRJGYFOOUBQI-WCQYABFASA-N	242.363	1.138	70	20	BDID	
CC[C@H](C)C[C@H](C)NC(=O)N[C@@H]1CCOC1	159416157	NOPHZKCBQHIINU-GARJFASQSA-N	228.336	1.899	70	20	BDID	
CCN(C(=O)N[C@H]1CCOC1)C1CCCC1	159559715	LLJCFFHKRBCFDM-JTQLQIEISA-N	226.320	1.749	70	20	BDID	
O=C(C1CCCC1)N1CCc2ncncc2C1	218062026	KHOFEOBQHQCDTP-UHFFFAOYSA-N	231.299	1.552	70	20	BDID	
CC[C@H]1CN(C(=O)N2CCC(C)CC2)CCO1	160361784	IMUSGTXYFWRIAL-LBPRGKRZSA-N	240.347	1.949	70	20	BDID	
C[C@H](CC(=O)NCCCN)c1cccc(F)c1	160063140	RMACWQSUMVINPD-SNVBAGLBSA-N	238.306	1.784	70	20	BDID	
O=S(=O)(Cl)CCCOC[C@H]1CCCO1	114257780	HCBPNOCTKGUXKL-MRVPVSSYSA-N	242.724	1.141	70	20	BDID	
CC(C)(C)[C@@H](O)CNC(=O)[C@H]1CCCCO1	160844009	LRBMJTANPZCPTA-ZJUUUORDSA-N	229.320	1.079	70	20	BDID	
CC(C)CNC(=S)N(C)[C@@H]1CCSC1	160045755	ODOFGUXZGZPDPO-SECBINFHSA-N	232.418	1.954	70	20	BDID	
Cc1cnc(NC(=O)[C@H]2CCCCO2)[nH]1	160791548	GARHPZDAEVXULH-MRVPVSSYSA-N	209.249	1.226	70	20	BDID	
Cc1nn(C)cc1C(=O)N(C)Cc1cccn1C	160817661	BSSJYBOYNLRWKF-UHFFFAOYSA-N	246.314	1.339	70	20	BDID	
C[C@@H](C[C@@H]1CCCO1)NC(=O)[C@@H]1OCC[C@@H]1C	159802458	UKTZFFWPYWZQFO-FIQHERPVSA-N	241.331	1.485	70	20	BDID	
C[C@@H]1CCCN(C(=O)N[C@@H]2CCOC2)[C@@H]1C	159453718	AIXOBCLDCZLQAF-GMTAPVOTSA-N	226.320	1.605	70	20	BDID	
C1CC(CSCCN2CCOCC2)C1	159884625	NUVGQZZPQDYYOP-UHFFFAOYSA-N	215.362	1.852	70	20	BDID	
C[C@H](CNC(=O)[C@@H](C)N)c1ccc(F)cc1F	159492633	KUZMSDKZPDNUCJ-HTQZYQBOSA-N	242.269	1.532	70	20	BDID	
CC1(C)C[C@H]1C(=O)N1CCN(CC2CC2)CC1	159527644	UDJHXCYHQVJHSD-LBPRGKRZSA-N	236.359	1.587	70	20	BDID	
CCCCO[C@H](C)C(=O)N1CCC[C@H]1CNC	161347375	IFKYTVXTKDUTTJ-NEPJUHHUSA-N	242.363	1.402	70	20	BDID	
CCN(C(=O)[C@H](C)N)c1nc(C)cs1	161353540	IRWLASLNFNYUBR-ZETCQYMHSA-N	213.306	1.152	70	20	BDID	
COc1cccnc1NCc1cc[nH]n1	159446752	PRLMHYBSRHUBQK-UHFFFAOYSA-N	204.233	1.425	70	20	BDID	
CCCCCC(=O)N[C@H]1CCN(C(C)=O)C1	159459395	PKQZZUKULMJWFU-NSHDSACASA-N	226.320	1.304	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cnns1	159554896	MPRNFHXFPUYMHH-HTQZYQBOSA-N	225.317	1.847	70	20	BDID	
CC(C)NCCCNC(=O)c1ccccc1N	161275092	KFGDYGQIOZRFGE-UHFFFAOYSA-N	235.331	1.387	70	20	BDID	
C[C@@H](CO)C1CCN(CC(F)(F)F)CC1	218358143	ZHKHUSUHYLKWRS-QMMMGPOBSA-N	225.254	1.889	70	20	BDID	
CC[C@H]1CCCC[C@@H]1NCC1(CO)COC1	161431463	JZOZRHBOLXYSFU-RYUDHWBXSA-N	227.348	1.554	70	20	BDID	
CC[C@@H](C(N)=O)N1C[C@@H](C)c2ccccc21	216911120	VCWIBINDIMXTDR-KOLCDFICSA-N	218.300	1.874	70	20	BDID	
C[C@H](N)C(=O)NCCOC1CCCCCC1	160087037	PEEHOZXCHWLKJJ-JTQLQIEISA-N	228.336	1.189	70	20	BDID	
Cc1ncc(/C=C/C(=O)N2CC[C@@H](N)C2)s1	160215394	RFHSMFGZMLMAIG-GKQMSVHHSA-N	237.328	1.024	70	20	BDID	
CCNCCNc1ccncc1Br	159894923	WNDHRACQVSFVIH-UHFFFAOYSA-N	244.136	1.866	70	20	BDID	
CCONC(=O)NC[C@H](C)c1ncc(C)s1	159566332	IZZCFKZSNXGSTC-ZETCQYMHSA-N	243.332	1.806	70	20	BDID	
CCC(N)(CC)CNC(=O)CC[C@H]1CCOC1	160500474	YRMVADRLYFTNHP-NSHDSACASA-N	242.363	1.437	70	20	BDID	
C[C@H]1CCCCN1C(=O)N[C@@H]1CCOC1	159452259	IFSIFAPSCDQWFY-VHSXEESVSA-N	212.293	1.359	70	20	BDID	
CCCNC(=S)NC[C@H](C)SC	159576810	PIKVUGKZIDMXTO-ZETCQYMHSA-N	206.380	1.612	70	20	BDID	
CCCCCC(=O)N1CC[C@H](CCN)C1	159995583	XYKIYNZIPAMWGC-NSHDSACASA-N	212.337	1.764	70	20	BDID	
COC[C@H]1CCN(C(=O)N2CCC[C@H](C)C2)C1	160616602	XYHLHSAVEPCCMB-RYUDHWBXSA-N	240.347	1.807	70	20	BDID	
CCCCS[C@H](C)C(=O)N(C)[C@H](C)CO	160414943	YZPRXXQMEZDOHB-NXEZZACHSA-N	233.377	1.747	70	20	BDID	
CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	159820952	SKZVJEOPOVTIIU-HTQZYQBOSA-N	211.211	1.814	70	20	BDID	
O=S(=O)(NC[C@@H](O)C1CCCCC1)C1CC1	159530433	ODTBTAGPIKCIPR-LLVKDONJSA-N	247.360	1.009	70	20	BDID	
O=C(NCC1CCC1)c1ccncc1F	161389771	SZTJBRIIUOGUNA-UHFFFAOYSA-N	208.236	1.751	70	20	BDID	
CCOC(=O)C[C@H](C)N(C)CCSC	160111764	OFGLTWGZCOABND-VIFPVBQESA-N	219.350	1.623	70	20	BDID	
CC(C)(N)CNC(=O)c1ccc(Cl)nc1	160103775	HTUHLKXKTCRUBD-UHFFFAOYSA-N	227.695	1.202	70	20	BDID	
CC/C=C(/C)C(=O)N[C@@H]1CCCN[C@@H]1C	160534995	RZZLARKZUPYGSE-GOLMWGNGSA-N	210.321	1.599	70	20	BDID	
CCc1ncnc(NCC(C)(C)C(N)=O)c1F	217978267	SZRHTQJTUGCNBX-UHFFFAOYSA-N	240.282	1.102	70	20	BDID	
CC[C@@H](CCO)N[C@H](C)c1cscn1	161208768	PUJLESAMQLLVNF-BDAKNGLRSA-N	214.334	1.955	70	20	BDID	
C[C@@H]1CCCn2c(S(=O)(=O)Cl)cnc21	100468259	QABARVZNMAMQGB-ZCFIWIBFSA-N	234.708	1.708	70	20	BDID	
CO[C@H]1CCCN(C(=O)NC2CCC2)C1	217939995	ACUJREJZAMTBGV-JTQLQIEISA-N	212.293	1.359	70	20	BDID	
CC(C)(CCO)CNC(=O)NC1CCC1	218000262	SAEDVZBAZSINRN-UHFFFAOYSA-N	214.309	1.247	70	20	BDID	
CC(C)CCO[C@H](C)C(=O)NCC(C)(C)N	160046904	BGLZEYMNRGSNKO-SNVBAGLBSA-N	230.352	1.291	70	20	BDID	
CN1CCN(C(=O)NC2CCCC2)CC1(C)C	160572978	DUPAOOQLMDUAMP-UHFFFAOYSA-N	239.363	1.665	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1ccncc1	160662057	IIMJBEUTKKBPTF-VIFPVBQESA-N	236.271	1.153	70	20	BDID	
C1CC[C@H](CSCCN2CCOCC2)OC1	159839542	RMRHVKXPJOIRGT-GFCCVEGCSA-N	245.388	1.621	70	20	BDID	
C[C@H](O)C[C@@H]1CCCN1C[C@@H]1CCCO1	159368922	KJEHMMCXFOGKFI-SRVKXCTJSA-N	213.321	1.401	70	20	BDID	
CC[C@@H](N[C@H](CCO)CSC)C1CC1	160388484	UWJJUWOGLQOTJF-GHMZBOCLSA-N	217.378	1.879	70	20	BDID	
CN(Cc1cccc(F)c1)Cc1nncn1C	160685830	VJSYBTFZINIZFF-UHFFFAOYSA-N	234.278	1.586	70	20	BDID	
COCCCN(C)CCCN1CCCCC1	161296148	JSKFENCQHFBVAD-UHFFFAOYSA-N	228.380	1.831	70	20	BDID	
CN(C)C(C)(C)CNC(=O)[C@@H]1CCCCO1	161169860	LHLTVYGKXAHHRB-JTQLQIEISA-N	228.336	1.012	70	20	BDID	
CC(C)(C(=O)NCCCN)c1ccccc1F	160083618	LJXVVWHRQCWLSN-UHFFFAOYSA-N	238.306	1.568	70	20	BDID	
CNC(=O)Nc1ccc(O[C@H]2CCOC2)cc1	160201715	WDJUGCQHMVYDHM-NSHDSACASA-N	236.271	1.606	70	20	BDID	
CCOCCCN(CCCO)CC(F)(F)F	160488220	WLHMFQMEWYIIRT-UHFFFAOYSA-N	243.269	1.660	70	20	BDID	
Cc1[nH]ccc1C(=O)N[C@H]1CCC[C@@H](N)C1	160799363	NSJAXQRXYXPODV-ZJUUUORDSA-N	221.304	1.323	70	20	BDID	
CCNC(=S)N1CC[C@@H](C)[C@H](C)C1	160869668	PFLRNMVDZHXUQA-RKDXNWHRSA-N	200.351	1.859	70	20	BDID	
O=C(NC[C@@H]1Cc2ccccc21)N[C@@H]1CCOC1	159383004	QJMZRYMNZYJPFQ-NWDGAFQWSA-N	246.310	1.414	70	20	BDID	
C[C@@H]1CC[C@H](CC(=O)N2CC[C@@H](N)C2)C1	160277796	LCAHDVSJJPNDOQ-OUAUKWLOSA-N	210.321	1.372	70	20	BDID	
CC(C)OC[C@H](C)CS(=O)(=O)Cl	112159574	RBKIIIKXLCPBRZ-ZETCQYMHSA-N	214.714	1.616	70	20	BDID	
CC(C)c1cnn(CCS(=O)(=O)F)c1	883953736	JENFDTPCMKPKCR-UHFFFAOYSA-N	220.269	1.306	70	20	BDID	
COC(=O)[C@@H](C)Nc1ccn(CCC(C)C)n1	159941078	BWKBGBHGSBRILO-SNVBAGLBSA-N	239.319	1.903	70	20	BDID	
O=C(NCCc1ccco1)[C@H]1CCCCO1	160025882	FNNATCPAPAIFKE-LLVKDONJSA-N	223.272	1.507	70	20	BDID	
CCN(CCCO)C(=O)c1ccsc1	160312502	LYRUWCDCSAATGY-UHFFFAOYSA-N	213.302	1.593	70	20	BDID	
CCOC(=O)[C@@H](NCCC(C)(C)O)[C@H](C)CC	159618520	NLPIRAAHDFDUOI-MNOVXSKESA-N	245.363	1.715	70	20	BDID	
COc1cccnc1N[C@H]1CCCOC1	159471064	NJSVHTFSSKBRLU-VIFPVBQESA-N	208.261	1.681	70	20	BDID	
CC[C@@]1(C)C[C@H]1C(=O)NCCn1ccnc1	159790816	FDWYSNZLPYXMQA-JQWIXIFHSA-N	221.304	1.436	70	20	BDID	
C[C@H]1CN(CCn2ccnc2)C[C@@H](C)S1	159852983	KRXFUGZWCOKQDR-PHIMTYICSA-N	225.361	1.709	70	20	BDID	
COC[C@H](N[C@H]1CCC[C@H](N(C)C)C1)C1CC1	161141999	RCPNUVYNUGJKRI-IHRRRGAJSA-N	240.391	1.874	70	20	BDID	
C[C@H]1Cc2ccc(F)cc2[C@@H]1NCCO	159725202	LEKXNXLUIRXSOG-QPUJVOFHSA-N	209.264	1.641	70	20	BDID	
Fc1cncc(CNC[C@H]2CCCO2)c1	160124335	KVWSHMILALIXDG-LLVKDONJSA-N	210.252	1.489	70	20	BDID	
CN1CCC[C@@H]1CNc1ncnc2c1CCCC2	217802054	DZTIUTIZCPQGAT-LLVKDONJSA-N	246.358	1.862	70	20	BDID	
COC[C@H](C)NC(=O)c1ccc(C(C)C)nc1	159610668	FFSLQRRMLFJEMF-JTQLQIEISA-N	236.315	1.970	70	20	BDID	
CSC[C@@H](C)NC(=O)CC[C@@H]1CCNC1	160470573	UDGASNSROTYKLS-NXEZZACHSA-N	230.377	1.244	70	20	BDID	
O=S(=O)(Cl)Cc1ccc(Cl)cn1	156946803	DKAPCPXCFWZXMT-UHFFFAOYSA-N	226.084	1.804	70	20	BDID	
CC[C@H](O)CCN[C@@H]1CCOC(C)(C)C1	218763166	QVWXNXCQBRHSRF-MNOVXSKESA-N	215.337	1.695	70	20	BDID	
CNCCNCc1cc(F)ccc1F	161232877	WIPICIHIMMFRMG-UHFFFAOYSA-N	200.232	1.274	70	20	BDID	
CCCn1nc(C)c(C(=O)NC2CC2)c1C	161223141	NAYOVWCMDNRQGF-UHFFFAOYSA-N	221.304	1.802	70	20	BDID	
Cc1cnccc1NC(=O)[C@H]1OCC[C@H]1C	160122009	ONXNBODGKBJSFJ-KCJUWKMLSA-N	220.272	1.754	70	20	BDID	
COc1cccnc1NCc1cc(C)no1	160222726	ZVOLUGUSNSUVNB-UHFFFAOYSA-N	219.244	1.999	70	20	BDID	
CCc1ccc(CCC(=O)N2CC[C@@H](N)C2)cc1	160245890	VTJWAFXNRIJTSK-CQSZACIVSA-N	246.354	1.741	70	20	BDID	
Cc1[nH]ncc1C(=O)NC1(C)CCOCC1	159472323	FCGKMWHEITZCQK-UHFFFAOYSA-N	223.276	1.017	70	20	BDID	
CS[C@@H](C)CNC(=O)c1cccc(F)n1	160750937	JPALMQOSNWPUJP-ZETCQYMHSA-N	228.292	1.702	70	20	BDID	
N[C@H]1CCC[C@@H](NC(=O)c2ccsc2)C1	161340366	XLXHYJXGSWUNAC-VHSXEESVSA-N	224.329	1.748	70	20	BDID	
COc1cccnc1N[C@@H]1CCCOC1	159470928	NJSVHTFSSKBRLU-SECBINFHSA-N	208.261	1.681	70	20	BDID	
CC(C)CN1CCC2(CC1)CNC(=O)O2	218086099	BNFXTXMNMOACOM-UHFFFAOYSA-N	212.293	1.217	70	20	BDID	
CS[C@H](C)CNC(=O)NC[C@]1(C)CCCO1	160065559	NTPOZNNBTDMYBE-KOLCDFICSA-N	246.376	1.606	70	20	BDID	
COC(C)(C)CNc1nccn2nc(C)cc12	160613262	HYVRSAJFDUVOKI-UHFFFAOYSA-N	234.303	1.875	70	20	BDID	
CCCCS(=O)(=O)N1[C@H]2C=CC[C@H]1CC2	218756345	JJQICQLTNOMNRQ-QWRGUYRKSA-N	229.345	1.909	70	20	BDID	
CC[C@@]1(C)C[C@@H]1C(=O)N(C)CC(=O)NC1CC1	160114541	LIQFXPDVTHNKRB-MFKMUULPSA-N	238.331	1.160	70	20	BDID	
O=S(=O)(Cl)[C@@H]1CCCO[C@@H]1F	1537958812	MQPFIYFUZBQJHP-UHNVWZDZSA-N	202.634	1.030	70	20	BDID	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCC(F)(F)F	159691474	LMNHTXJGZHCRPE-SVRRBLITSA-N	237.221	1.670	70	20	BDID	
CN(C)C(=O)N(Cc1cccnc1)C1CC1	217400238	CLDQHLCGFSJTHN-UHFFFAOYSA-N	219.288	1.728	70	20	BDID	
CC1CC(NC(=O)CC[C@@H]2CCNC2)C1	160466884	DMOQZPMMCBZILH-HSOILSAZSA-N	210.321	1.291	70	20	BDID	
CCC(=O)Cn1cnc(C(C)C)cc1=O	160883897	QTCAZTQGJMNULX-UHFFFAOYSA-N	208.261	1.346	70	20	BDID	
CC(=O)NC1CCC(NC[C@H]2CCCO2)CC1	161217730	IRILZZSOKJIJEZ-WXRRBKDZSA-N	240.347	1.202	70	20	BDID	
CC(C)(N)C(=O)N[C@H](Cc1ccccc1)C1CC1	161258342	DVWUWYNDFPXSKE-CYBMUJFWSA-N	246.354	1.861	70	20	BDID	
Cc1cc(C(=O)N2C[C@H](C)OC(C)(C)C2)ncn1	160487007	BNRFHTFJWIXVFV-JTQLQIEISA-N	249.314	1.425	70	20	BDID	
CC[C@@H](O)CCNC(=O)N[C@H](C)C(C)C	160677360	JDINWQLYKDRJDA-NXEZZACHSA-N	216.325	1.491	70	20	BDID	
CC(C)[C@H]1CCCN1C(=O)N[C@H]1CCOC1	159435512	MZGUZABCSPQIBV-WDEREUQCSA-N	226.320	1.605	70	20	BDID	
CCc1ncnc(NCCN(CC)CC)c1F	217951433	PAVPNLRQJDGFCB-UHFFFAOYSA-N	240.326	1.932	70	20	BDID	
CSCCN(C)C[C@H](N)CC(C)C	160069788	QSADQTCHFWHHAB-SNVBAGLBSA-N	204.383	1.655	70	20	BDID	
C[C@@H]1CCCN(C(=O)N(C)C2CCOCC2)C1	160366757	NJZVKBDHRVZFOZ-LLVKDONJSA-N	240.347	1.949	70	20	BDID	
CCCc1ncc(C(=O)NC2(CO)CC2)s1	160268210	QAGGDUUZWCXQQA-UHFFFAOYSA-N	240.328	1.350	70	20	BDID	
CN(Cc1cccn1C)C(=O)C1CCC1	160742232	IVSOHTOZWUZICQ-UHFFFAOYSA-N	206.289	1.784	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)c1ccc(C)o1	160770908	XJUZJFXGERGYLB-QMMMGPOBSA-N	239.271	1.660	70	20	BDID	
Cc1ccoc1C(=O)N[C@@H]1CCC[C@@H](N)C1	160899934	AISMEXUCRUTROV-NXEZZACHSA-N	222.288	1.588	70	20	BDID	
CC[C@]1(C)C[C@@H]1C(=O)N[C@H](CO)CC(C)C	161074585	JZBJIXLMIYNIIG-DMDPSCGWSA-N	227.348	1.946	70	20	BDID	
COc1cccc(C(=O)N[C@@H]2CCC[C@@H](N)C2)c1	161181899	AOMYLRCZXJNDJU-VXGBXAGGSA-N	248.326	1.695	70	20	BDID	
C[C@H]1C[C@@H]1c1ccc(CN[C@H](C)C(N)=O)o1	217698698	OGFDCEAOTQJVTE-XKSSXDPKSA-N	222.288	1.366	70	20	BDID	
CCOC(=O)[C@H](C)SCCN1CCOCC1	160029326	HLNIKDUQWGTOKV-JTQLQIEISA-N	247.360	1.003	70	20	BDID	
CCC1CCN(C(=O)c2cccc(=O)n2C)CC1	160550252	XFXUHGKBCUJMLD-UHFFFAOYSA-N	248.326	1.648	70	20	BDID	
CCc1cc(C(=O)Nc2c[nH]c(=O)c(C)c2)[nH]n1	159627032	HLHVQQOOUQHHRC-UHFFFAOYSA-N	246.270	1.221	70	20	BDID	
CCNC(=S)N[C@H]1CCOC(C)(C)C1	159747766	WWSOAJIYLORVGQ-QMMMGPOBSA-N	216.350	1.428	70	20	BDID	
CSCCNC(=O)[C@H]1CCCCO1	160010043	XWLYLMLEMCJKAG-MRVPVSSYSA-N	203.307	1.035	70	20	BDID	
COC[C@H](C)CNCc1ncccc1C	159630604	GKZIARLMMXVALF-SNVBAGLBSA-N	208.305	1.762	70	20	BDID	
CCOCCO[C@@H](C)C(=O)NC1CC=CC1	161017722	RJOBCKKYWZDUMU-JTQLQIEISA-N	227.304	1.263	70	20	BDID	
CCN(C)C(=O)N[C@H]1CCN(CC2CC2)C1	160713060	WVSBNCHDPLDCDQ-NSHDSACASA-N	225.336	1.132	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cocn1	159844205	WHNTWRQIIRGUIB-RKDXNWHRSA-N	208.261	1.983	70	20	BDID	
C[C@H](N)[C@H]1CCN(CCC(F)(F)F)C1	159505378	JZMAPIHAFUACTD-YUMQZZPRSA-N	210.243	1.608	70	20	BDID	
O=C(OCc1cncs1)[C@H]1C[C@H]2CC[C@@H]1O2	159575727	JUYFGZBPMLMUMH-JEZHCXPESA-N	239.296	1.754	70	20	BDID	
C[C@H]1CCCCN1C(=O)N[C@H]1CCOC1	159452523	IFSIFAPSCDQWFY-UWVGGRQHSA-N	212.293	1.359	70	20	BDID	
CC[C@@H](C)CN(CC)[C@@H](C)C(=O)NC(=O)NC	160558417	YMPIZGWQPSMZHN-ZJUUUORDSA-N	243.351	1.199	70	20	BDID	
Cc1cnccc1CN[C@@H](C)C(C)(C)O	160600030	PHYGRNTUXPSNJB-JTQLQIEISA-N	208.305	1.639	70	20	BDID	
CCOC[C@@]1(C)C[C@@H]1S(=O)(=O)Cl	521399942	DOAVYDUYTXSUFH-NKWVEPMBSA-N	212.698	1.370	70	20	BDID	
CC(=O)c1ccccc1C(=O)N[C@@H]1CCC[C@H]1O	161111212	HOEVQTZEUPMLCD-CHWSQXEVSA-N	247.294	1.532	70	20	BDID	
Cc1cc(C[C@H](C)NC(=O)CC2CCC2)n[nH]1	161241214	VASOXYVDKANPRH-VIFPVBQESA-N	235.331	1.956	70	20	BDID	
CCO[C@@H](C(=O)NCCCN)c1ccccc1	160009610	ZTSYVLCDISOLJY-GFCCVEGCSA-N	236.315	1.229	70	20	BDID	
CC(C)CCO[C@@H](C)C(=O)N1CCC[C@H]1CN	160287085	TVTMPXATASZSOW-RYUDHWBXSA-N	242.363	1.387	70	20	BDID	
CC[C@@H](C)OCC(=O)Nc1cccc(F)n1	160528174	QEJBZWPIFHAZDR-MRVPVSSYSA-N	226.251	1.974	70	20	BDID	
CC(C)Cc1noc(CS[C@H](C)CO)n1	160760660	GFXVJYTVGIQUOA-MRVPVSSYSA-N	230.333	1.882	70	20	BDID	
Cc1ncsc1CNC(=O)N[C@@H]1CCOC1	159400952	BZOPTUKFMNFSEQ-MRVPVSSYSA-N	241.316	1.040	70	20	BDID	
C[C@H](CNC(=O)N[C@H]1CCOC1)C1CC1	159423808	ZTBOJZCGODAVPB-SCZZXKLOSA-N	212.293	1.121	70	20	BDID	
Cc1ccc(NC(=O)C(=O)N[C@H](C)C(C)C)cn1	159766075	RCXRYHGKGQSCFX-SNVBAGLBSA-N	249.314	1.489	70	20	BDID	
CCN(C)C(=O)N1CCN(c2ccccn2)CC1	160310426	OEGGNJYWAROVJJ-UHFFFAOYSA-N	248.330	1.275	70	20	BDID	
CC[C@H](CCO)N[C@@H]1CCCOCC1	161455964	OGGCNUBEOGRMSU-GHMZBOCLSA-N	201.310	1.306	70	20	BDID	
O=S(=O)(Cl)[C@H]1COc2ccccc2C1	306206996	JFGSAXDGDKMXJM-MRVPVSSYSA-N	232.688	1.559	70	20	BDID	
O=S(=O)(Cl)c1c[nH]nc1C1CC1	107171567	PYDRENLBEKWPCF-UHFFFAOYSA-N	206.654	1.215	70	20	BDID	
Cc1cc(C[C@@H](C)NC(=O)C(C)C)n[nH]1	161198161	JBIHHFDTWOQSFO-MRVPVSSYSA-N	209.293	1.421	70	20	BDID	
CC[C@@H]1CN(C(=O)[C@@H]2CCCCO2)CCO1	161351538	FBLKQTIGPKNSPJ-MNOVXSKESA-N	227.304	1.193	70	20	BDID	
CC[C@H](C)OCC(=O)N(CC)C[C@@H]1CCCO1	160720523	DIOGCXSXVIFADY-RYUDHWBXSA-N	243.347	1.829	70	20	BDID	
CCc1ccc([C@H](CO)NCc2ncc[nH]2)cc1	160768317	VBOJNIDNZGPDCW-ZDUSSCGKSA-N	245.326	1.795	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)c1ccnn1C	159676183	AJFQWBZJBVYYPY-ZJUUUORDSA-N	221.304	1.729	70	20	BDID	
CCC[C@H](N)C(=O)NC[C@@H]1CCc2ccccc21	159732085	OHTASXJYVDQDRZ-JSGCOSHPSA-N	246.354	1.960	70	20	BDID	
C[C@@H]1C[C@@H]1C(=O)NCC1(C)CCNCC1	159980059	FXZKYVYPCRAFNA-ZJUUUORDSA-N	210.321	1.148	70	20	BDID	
CC[C@@H]1CCC[C@@H]1NC(=O)CN1CCCC1=O	159828359	DTMCIHIKEUVWEG-MNOVXSKESA-N	238.331	1.304	70	20	BDID	
C[C@]1(CNC(=O)C2CCC2)CCCNC1	159958492	XXGLOXMZLLZJQF-LBPRGKRZSA-N	210.321	1.292	70	20	BDID	
COC[C@H](N[C@H](CCO)CSC)C(C)C	160341498	FIDKWPIJWFLOGN-MNOVXSKESA-N	235.393	1.361	70	20	BDID	
CSC[C@@H](CCO)N[C@H](C)c1cncs1	160232757	KHMPKBFZXKZUGK-RKDXNWHRSA-N	246.401	1.908	70	20	BDID	
C[C@H](CS(=O)(=O)Cl)c1ccccn1	106789263	WDJVCNLAQYVCFV-SSDOTTSWSA-N	219.693	1.754	70	20	BDID	
CCCN(CC)CCNC(=O)CCC(C)=O	217917475	VTGZFBCRYLJHCZ-UHFFFAOYSA-N	228.336	1.204	70	20	BDID	
Cc1cc(C(=O)N2CCCC[C@H]2C)ncn1	161198253	BXGKHDCKPALROQ-SNVBAGLBSA-N	219.288	1.800	70	20	BDID	
c1cnc(N[C@@H]2CCO[C@H](C3CC3)C2)cn1	160288721	BHNUSXQQYKBCFT-MNOVXSKESA-N	219.288	1.846	70	20	BDID	
CSC[C@H](CCO)N[C@H](C)[C@@H]1CCOC1	160200168	YOFORSLRAHNDCZ-MXWKQRLJSA-N	233.377	1.115	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](C)C1CC1	160389438	OSMFTGFPLDHEMO-DTWKUNHWSA-N	227.304	1.490	70	20	BDID	
O=S(=O)(Cl)Cc1nc(C2CC2)no1	157447508	RVFTZTAOHWQFFL-UHFFFAOYSA-N	222.653	1.016	70	20	BDID	
CC(C)CCNC(=O)N[C@H]1CCOC1	159454693	VOIDWXMPEMYSRX-VIFPVBQESA-N	200.282	1.121	70	20	BDID	
CCCN(CC)CCNC(=O)CO[C@H](C)CC	159912089	QKRICZYARBPCJO-GFCCVEGCSA-N	244.379	1.650	70	20	BDID	
CCC1(CC)CCN(C(=O)N[C@H]2CCOC2)C1	159361782	OCKKKQPRLVHIBP-NSHDSACASA-N	240.347	1.997	70	20	BDID	
COCCOCCC(=O)Nc1cccc(F)n1	160727441	LYHYZLKLUBBACT-UHFFFAOYSA-N	242.250	1.212	70	20	BDID	
CC(C)(F)C(=O)NC[C@@H]1CCCS1	159638948	VCDJLWCFQYSIEX-ZETCQYMHSA-N	205.298	1.746	70	20	BDID	
OCCNC1CCN(CC2CCCCC2)CC1	159700680	SRLBCJRIZCFZKP-UHFFFAOYSA-N	240.391	1.613	70	20	BDID	
C[C@@H](N[C@@H]1CCCNC1=O)c1cscn1	161179600	WWNVUNVUBACTRX-HTQZYQBOSA-N	225.317	1.072	70	20	BDID	
CCOC[C@@H](O)CN[C@@H]1CC(C)(C)OC1(C)C	161349286	VYGOUDFUHQEPMR-WDEREUQCSA-N	245.363	1.320	70	20	BDID	
Cc1cc(C(=O)Nc2cccnc2)ncn1	161161297	XMFKXAIAHHFHMH-UHFFFAOYSA-N	214.228	1.432	70	20	BDID	
C[C@@H]1CN(C(=O)[C@@H]2CCCCO2)[C@H](C)CO1	161215396	KPQWUBDHFKZYLC-MXWKQRLJSA-N	227.304	1.191	70	20	BDID	
CC[C@]1(C)C[C@@H]1C(=O)N(CCOC)CCOC	160834386	FOZANHFWZNXKES-DGCLKSJQSA-N	243.347	1.544	70	20	BDID	
CN(CC(=O)c1ccccc1F)[C@@H]1CCOC1	160031867	LWYRBBVKMGFFIU-SNVBAGLBSA-N	237.274	1.729	70	20	BDID	
Cc1conc1NC(=O)C(=O)NCCC(C)C	159926034	BDXRLDIMXXFMIK-UHFFFAOYSA-N	239.275	1.084	70	20	BDID	
CS[C@H](C)CNC(=O)Cc1ccccc1O	159531767	AHIXVCWDBPLWNM-SECBINFHSA-N	239.340	1.802	70	20	BDID	
Cc1[nH]ncc1C(=O)N1CC[C@@H](C)[C@H](C)C1	160866491	ZFEKIUWSMYWHJK-RKDXNWHRSA-N	221.304	1.836	70	20	BDID	
CCCC[C@@H](CC)CC(=O)NC[C@@H](O)COC	159520259	NDPJWANMYXRSEG-VXGBXAGGSA-N	245.363	1.716	70	20	BDID	
CC1=CCN(C(=O)N[C@@H]2CCOC2)CC1	160220606	SOFQASRLAPQGMA-SNVBAGLBSA-N	210.277	1.137	70	20	BDID	
CC[C@H](COC)NC(=O)NCCCSC	160371887	FNSPYPZHPYAHOD-SECBINFHSA-N	234.365	1.464	70	20	BDID	
CCOC[C@H]1CCN(C(=O)CO[C@H](C)CC)C1	160391045	DWDARWINOVNGAS-NEPJUHHUSA-N	243.347	1.687	70	20	BDID	
CC1(C)CCC[C@H](NC(=O)N2CCOCC2)C1	160721532	DSORKPHSVGSQCY-NSHDSACASA-N	240.347	1.997	70	20	BDID	
CCN(C)C(=O)N1CC[C@H]2[C@H](CCCN2C)C1	160705940	CVSVATVNUUGVER-NEPJUHHUSA-N	239.363	1.474	70	20	BDID	
CNC(=O)C(C)(C)CNc1cccc(F)n1	161080274	CDVSAQWAFYECTC-UHFFFAOYSA-N	225.267	1.405	70	20	BDID	
c1cnc(N[C@H]2CCO[C@H](C3CC3)C2)nc1	160394758	WELGMIJCMPGJPJ-QWRGUYRKSA-N	219.288	1.846	70	20	BDID	
O=C(NCCF)c1cccc(S(=O)(=O)F)c1	1354885013	JKZJXXKJOSECMG-UHFFFAOYSA-N	249.238	1.044	70	20	BDID	
Cc1ncc(C(=O)NC2(CO)CCC2)s1	218173095	ATESBOBFZVTLTD-UHFFFAOYSA-N	226.301	1.096	70	20	BDID	
CC(C)CC(=O)NOCc1cccnc1	160828905	KUSLZNVICCLUKF-UHFFFAOYSA-N	208.261	1.676	70	20	BDID	
CCNC(=O)CN(CC)C(=O)[C@@H]1C[C@@]1(C)CC	160914074	XTHFKSMGJKEHEA-GXFFZTMASA-N	240.347	1.407	70	20	BDID	
CC1(C)CCC[C@H]1NC(=O)N[C@H]1CCOC1	159419970	KHNJQCIMCGEMFJ-VHSXEESVSA-N	226.320	1.653	70	20	BDID	
CN(CCc1ccccc1)C(=O)N[C@H]1CCOC1	159378341	CQJGFTMOPYXKKC-ZDUSSCGKSA-N	248.326	1.659	70	20	BDID	
CCCC1(CNC(=O)c2nccnc2N)CC1	160465687	BBHLSBVZSIJDLS-UHFFFAOYSA-N	234.303	1.369	70	20	BDID	
CN(CCO)C(=O)Nc1c(F)cccc1Cl	217313215	UQMWMAGWSMMQTN-UHFFFAOYSA-N	246.669	1.935	70	20	BDID	
CN(CC[C@@H]1CCCN1C)Cc1cnn(C)c1	161304838	QGMYTPQBXXEEON-ZDUSSCGKSA-N	236.363	1.336	70	20	BDID	
O=S(=O)(F)CCN1CCc2cc(F)ccc21	883954591	SIEIQYOMBGWINK-UHFFFAOYSA-N	247.266	1.488	70	20	BDID	
CCN(CCNCc1nccs1)C1CC1	218180656	FFUVCNOAPKIPQY-UHFFFAOYSA-N	225.361	1.717	70	20	BDID	
C[C@@H](C(=O)N(C)[C@H](C)CO)N1CCCCCC1	160502068	CPTZTMNTYQBCJM-NEPJUHHUSA-N	242.363	1.090	70	20	BDID	
CCCC1(CNC(=O)c2ccc(=O)n(C)c2)CC1	160736155	HNJQTWPRIVSTTL-UHFFFAOYSA-N	248.326	1.695	70	20	BDID	
CC[C@H](C)CN(CC)C(=O)[C@@H](C)OC	160812462	UVTYZKHHFMGRLI-VHSXEESVSA-N	201.310	1.916	70	20	BDID	
C[C@H](C1CC1)N(C)C(=O)N[C@H]1CCOC1	159551261	GFBFFJTZBYURIT-SCZZXKLOSA-N	212.293	1.215	70	20	BDID	
Cc1ccn2c(S(=O)(=O)Cl)cnc2c1	212251105	KGYZKQUIYVBJQU-UHFFFAOYSA-N	230.676	1.570	70	20	BDID	
C[C@@H](NCc1ccc(N(C)C)nc1)[C@H]1CCCO1	159988809	QIZVJOIYTHSGNR-DGCLKSJQSA-N	249.358	1.805	70	20	BDID	
CCC(N)(CC)CNC(=O)[C@@H]1C[C@H]2CC[C@@H]1O2	160520362	QPVOEDRZCXCBGB-MXWKQRLJSA-N	240.347	1.188	70	20	BDID	
CCC(CC)CNC(=O)N[C@H](C)CCO	160604331	YRNATCRXEWJUNS-SECBINFHSA-N	216.325	1.493	70	20	BDID	
CC/C=C(\C)C(=O)N[C@H]1CCC[C@@H]1CN	216751820	RJPHEYQNVAREQT-DTGHLQKHSA-N	210.321	1.586	70	20	BDID	
COc1ccnc(N[C@@]2(C)CCOC2)n1	160080115	AOOMYLVEDXMGNS-JTQLQIEISA-N	209.249	1.076	70	20	BDID	
Cc1cccc(OCC[C@@H]2CCNC2)n1	159510694	SYHOEBMZTIBDBI-NSHDSACASA-N	206.289	1.768	70	20	BDID	
COCCN1CCC([C@@H](O)C(F)(F)F)CC1	161214187	GDKQADOGTQMXQM-SECBINFHSA-N	241.253	1.268	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)C[C@H]1C=CCC1	160816891	FCZXPSYZXQTLTE-QWRGUYRKSA-N	239.315	1.801	70	20	BDID	
COC(=O)[C@H]1CCCN1Cc1ccc(C)cn1	159853523	OMMIQWGLKLSUGX-GFCCVEGCSA-N	234.299	1.527	70	20	BDID	
C[C@H](O)CN(C)CCCN1CCCCC1	161241384	BBPSCNFKBMKOJI-LBPRGKRZSA-N	214.353	1.175	70	20	BDID	
CNCCC(=O)Nc1c(C)cccc1F	160324906	ZQAZLGTVFXBBMM-UHFFFAOYSA-N	210.252	1.682	70	20	BDID	
CC[C@H](CCO)N[C@H]1CCCOCC1	161456159	OGGCNUBEOGRMSU-MNOVXSKESA-N	201.310	1.306	70	20	BDID	
O[C@@H](CN1CCO[C@@H]2CCC[C@@H]21)c1ccccc1	217900449	ROZKJHZASDTQKP-SOUVJXGZSA-N	247.338	1.973	70	20	BDID	
C[C@H](C(=O)N(C)[C@H](C)CO)c1ccsc1	160452880	WZRFDHBMHHMGRK-BDAKNGLRSA-N	227.329	1.691	70	20	BDID	
COc1ccc(C(=O)N(C)[C@@H](C)CO)c(C)c1	160568395	RZJHDSVYJTUKEQ-JTQLQIEISA-N	237.299	1.456	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)[C@H](C)C1CC1	160679964	BZVNAUPDTUQELI-MWLCHTKSSA-N	213.321	1.556	70	20	BDID	
CC[C@@H](SC)C(=O)N[C@H](CO)CC(C)C	160842850	LYISLRHTHZLBHP-VHSXEESVSA-N	233.377	1.651	70	20	BDID	
O=c1ncccn1Cc1ccn(C2CCCC2)n1	159719462	PQAJNIFUYVAEFZ-UHFFFAOYSA-N	244.298	1.603	70	20	BDID	
CN(CCCN1CCCCC1)C[C@H](O)C1CC1	161465357	QARDEIISHNDYDO-AWEZNQCLSA-N	240.391	1.565	70	20	BDID	
CCN(CCOC)C(=O)NCc1ccccc1	218049718	IOYMFSQBOOYZPW-UHFFFAOYSA-N	236.315	1.865	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)[C@H]1CC1(C)C	160753481	CGQXMAJSHFQFGM-NXEZZACHSA-N	213.321	1.556	70	20	BDID	
CO[C@H](C)C(=O)NC[C@]1(C)CCCS1	160846897	DBKQBFCVTNKYDP-SCZZXKLOSA-N	217.334	1.423	70	20	BDID	
CC[C@@H](C)[C@H](C)NC(=O)c1cccc(=O)n1C	161055751	ULELFOBTDIAUJJ-ZJUUUORDSA-N	236.315	1.550	70	20	BDID	
CCNCCNCc1cc(C)ccc1F	161313983	ZVMPUIJEIDGQJC-UHFFFAOYSA-N	210.296	1.833	70	20	BDID	
Cc1cc(C(=O)NCCCC(C)C)ncn1	161486391	HWDLJKQERGETNB-UHFFFAOYSA-N	221.304	1.951	70	20	BDID	
CS[C@@H]1CCCN(CC(F)(F)F)C1=O	159612388	SGHFBIPQNPCQTM-ZCFIWIBFSA-N	227.251	1.903	70	20	BDID	
Cc1cc(C)c(C(=O)Nc2ncccc2O)[nH]1	159722799	MGRTYAWNYSZPTA-UHFFFAOYSA-N	231.255	1.984	70	20	BDID	
CC[C@H]1CCCCN1C(=O)N[C@H]1CCOC1	159543632	QNWDSZBZOUMOGK-QWRGUYRKSA-N	226.320	1.749	70	20	BDID	
CN(C)CCCNCc1cncc(F)c1	160131700	KBAVCBPOSMCDIY-UHFFFAOYSA-N	211.284	1.262	70	20	BDID	
CSCC[C@H](N)c1nc([C@H]2C[C@H]2C)no1	161006518	JCHMPNNLDALSCY-CSMHCCOUSA-N	227.333	1.946	70	20	BDID	
CCc1cc(CS(=O)(=O)Cl)n(CC)n1	91323844	KXRVFBXYPRKNCM-UHFFFAOYSA-N	236.724	1.534	70	20	BDID	
CC[C@@H]1CCCN(C(=O)N[C@@H]2CCOC2)CC1	159450783	AJNFUTSOXCGUAX-VXGBXAGGSA-N	240.347	1.997	70	20	BDID	
CC[C@H](CSC)NC(=O)CCCCO	217498203	APJBGKDPGVEYPF-SECBINFHSA-N	219.350	1.407	70	20	BDID	
CN(C)CC(C)(C)CNC(=O)[C@H]1CCCCO1	161087139	HRTUCJJWIVHAJR-LLVKDONJSA-N	242.363	1.260	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)CCC1CC1	160628668	SIGVPDUNJSKPCM-SECBINFHSA-N	227.304	1.635	70	20	BDID	
CCC(=O)N[C@@H]1CCCN(C[C@](C)(O)CC)C1	160758072	WDIRJGYFOOUBQI-DGCLKSJQSA-N	242.363	1.138	70	20	BDID	
CCc1nnsc1C(=O)NC1CC=CC1	160859250	YMSGRCVDOWDZPI-UHFFFAOYSA-N	223.301	1.549	70	20	BDID	
O=C(OCc1cncs1)[C@H]1C[C@@H]2CC[C@@H]1O2	159575493	JUYFGZBPMLMUMH-HGNGGELXSA-N	239.296	1.754	70	20	BDID	
O=C(/C=C\c1ccco1)NC[C@H]1CCCCN1	217436606	LNVGYUHBEAQYKM-JMEBYUIHSA-N	234.299	1.551	70	20	BDID	
Cn1cnn(Cc2ccc3c(c2)CCC3)c1=O	160781540	PCPAEJCMYZJAAG-UHFFFAOYSA-N	229.283	1.119	70	20	BDID	
CS[C@H](C)CNC(=O)c1cccc(F)n1	160751044	JPALMQOSNWPUJP-SSDOTTSWSA-N	228.292	1.702	70	20	BDID	
C[C@@H](NCC1(CO)CC1)c1cscn1	161217864	AVXBGGQALKNJQH-MRVPVSSYSA-N	212.318	1.566	70	20	BDID	
C[C@H](CCC(F)F)S(=O)(=O)Cl	584880819	GVKGBMIJYKHDDQ-SCSAIBSYSA-N	206.641	1.989	70	20	BDID	
CC[C@H]1CCC[C@@H]1NC(=O)COCCOC	159532089	JWSUCVVQCCRCMJ-QWRGUYRKSA-N	229.320	1.344	70	20	BDID	
COC[C@@H](C(C)C)S(=O)(=O)Cl	125661951	CZGXYHKKIDHXJI-LURJTMIESA-N	200.687	1.226	70	20	BDID	
CCC[C@@H](C)CC(=O)NC[C@H](C)CCO	160923309	KCIQQJAUJQOGCF-GHMZBOCLSA-N	215.337	1.947	70	20	BDID	
CN(CC1CCOCC1)C(=O)NCCC1CC1	159535937	SLSQPVODWYCCJQ-UHFFFAOYSA-N	240.347	1.855	70	20	BDID	
CCC(CC)CC(=O)N1CCC[C@@H]1CN	160222117	WQNQTBKBKCOTCH-LLVKDONJSA-N	212.337	1.762	70	20	BDID	
CCCN(CCOCC1CC1)CC(=O)N(C)C	159497377	RYSGESNAOKTYFR-UHFFFAOYSA-N	242.363	1.213	70	20	BDID	
COC[C@H](C)NCc1cc(O)cc(F)c1	159586101	LMNUJBKMPOVBKH-QMMMGPOBSA-N	213.252	1.656	70	20	BDID	
Cc1cc(C)c(N2C(=O)CNC2=O)c(C)c1	218549612	JBUCZPNXVIRAOH-UHFFFAOYSA-N	218.256	1.668	70	20	BDID	
COC[C@H](C)N[C@H](CC(N)=O)C1CCCCC1	159751295	CKLPIJBFKONMDR-CMPLNLGQSA-N	242.363	1.435	70	20	BDID	
O=S(=O)(Cl)N1CCC(C(F)F)CC1	306258307	BEVSOGXXQMZPMD-UHFFFAOYSA-N	233.667	1.447	70	20	BDID	
O=C(Cn1nc(C2CC2)nc1C1CC1)NC1CC1	161506872	NCMQNQZSFCPDEU-UHFFFAOYSA-N	246.314	1.312	70	20	BDID	
C[C@H]1NCCC[C@H]1C(=O)N1C[C@H]2CCC[C@H]2C1	159865158	HVHDOBHSUMPLQB-FVCCEPFGSA-N	236.359	1.633	70	20	BDID	
CC[C@H](CO)NCc1cc(O)cc(F)c1	159588054	AJHZWVJJKZMQBH-SNVBAGLBSA-N	213.252	1.392	70	20	BDID	
COC[C@@H](NCCC(C)(C)O)C1CC1	159612405	NUKNAFQKOREWOE-SNVBAGLBSA-N	201.310	1.162	70	20	BDID	
CCCCN(C(=O)N[C@H]1CCOC1)C1CC1	159550695	DLXZMJQQPZSCMT-JTQLQIEISA-N	226.320	1.749	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](C)CC	160372436	NGQMNKSGHLCXJP-BDAKNGLRSA-N	215.293	1.490	70	20	BDID	
C[C@@H]1CC[C@@H](C(=O)NCCNC(C)(C)C)O1	159805350	FFQOAGSRLNYLIH-ZJUUUORDSA-N	228.336	1.058	70	20	BDID	
CCC[C@H](C)CC(=O)N1CCC[C@H]1CN	160265264	CMOQDMHTAKUCME-QWRGUYRKSA-N	212.337	1.762	70	20	BDID	
C[C@H](NCc1cc[nH]n1)c1cscn1	161192157	HOCJYGWEYBPYKU-ZETCQYMHSA-N	208.290	1.717	70	20	BDID	
CC[C@H](C)[C@@H](C)NC(=O)c1cccc(=O)n1C	161055609	ULELFOBTDIAUJJ-VHSXEESVSA-N	236.315	1.550	70	20	BDID	
Cc1cc(C[C@H](C)NC(=O)C2CC=CC2)n[nH]1	161071882	VIFGGTBOJKDGEB-VIFPVBQESA-N	233.315	1.732	70	20	BDID	
CC[C@]1(C)C[C@@H]1C(=O)N[C@@H]1CCN(C(C)=O)C1	159759640	GLPADMNHSUJVAF-NQBHXWOUSA-N	238.331	1.160	70	20	BDID	
C[C@H](N)C(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C	159876928	XPAVXCNADTUMIC-RCWTZXSCSA-N	210.321	1.513	70	20	BDID	
C[C@@H](O)CC(C)(C)CNC(=O)C[C@@H]1CCCN1	160950736	YFZSOLUCQXWPQD-MNOVXSKESA-N	242.363	1.042	70	20	BDID	
CCc1ncnc(NC[C@H]2CCCN2C)c1F	217991342	ZUHLDGLZVMZLPQ-SECBINFHSA-N	238.310	1.684	70	20	BDID	
C[C@H]1CCCC[C@@H]1N(C)C(=O)[C@H](C)CN	218383127	LYMBYMLSHQMMJF-AXFHLTTASA-N	212.337	1.618	70	20	BDID	
O=C(Nc1ccccn1)[C@@H]1CCCCO1	161202845	DVNAYFFJQBGRAT-VIFPVBQESA-N	206.245	1.589	70	20	BDID	
CC(C)(C)c1ccc(=O)n(CC(F)F)n1	159537663	PYHDKHAAIBBTFT-UHFFFAOYSA-N	216.231	1.806	70	20	BDID	
C[C@H](O)CCNC(=O)/C=C\c1ccccc1F	217776094	VYMZBHLDBXXUDL-GFVADAIESA-N	237.274	1.726	70	20	BDID	
CC1(C)C[C@@H](NC(=S)NC2CC2)CCO1	159748552	DURFFNJONUEQKJ-VIFPVBQESA-N	228.361	1.571	70	20	BDID	
CCC[C@@H](C)N1CCO[C@@H](CC(=O)OC)C1	218592188	RHKVNPCNYZZZGY-MNOVXSKESA-N	229.320	1.439	70	20	BDID	
C[C@@H](N)C(=O)NCc1ccccc1OC1CCC1	161199128	VJAZMWOVWNNMKV-SNVBAGLBSA-N	248.326	1.581	70	20	BDID	
CC[C@H](NC(=O)[C@@H](C)OC)c1c(C)noc1C	160698440	GDADHFDVMHYZNK-ZJUUUORDSA-N	240.303	1.894	70	20	BDID	
CCOC(=O)C[C@H](C)NC(=O)[C@H](C)SC	160799493	CDLWMMQQFRSFOH-YUMQZZPRSA-N	233.333	1.196	70	20	BDID	
CC[C@H](C)OCC(=O)N(C)CC(C)(C)O	159628841	JNMWXGXACWVTKP-VIFPVBQESA-N	217.309	1.031	70	20	BDID	
C[C@H](N)C(=O)NCCCc1cccc(F)c1	159450678	OROLXVSSGWYORP-VIFPVBQESA-N	224.279	1.222	70	20	BDID	
C[C@H]1CCN(S(=O)(=O)N(C)C)C[C@H](C)C1	159702279	ZNIDUBOKYGZZIX-VHSXEESVSA-N	234.365	1.161	70	20	BDID	
CNC[C@@H]1CCCN1C(=O)CC[C@@H]1CCOC1	161289185	KNYJNPAMQQWQSP-NEPJUHHUSA-N	240.347	1.014	70	20	BDID	
CN(Cc1ccccn1)[C@H]1CCCCNC1=O	160295866	ZLNHISFOGSTROD-LBPRGKRZSA-N	233.315	1.182	70	20	BDID	
CN(Cc1ccc(F)cc1)Cc1nncn1C	160691496	UFWKIWWYTZUMMZ-UHFFFAOYSA-N	234.278	1.586	70	20	BDID	
C[C@H]1CCC[C@H](C(=O)Nc2nnc[nH]2)C1	161022366	WWMCEJMTHHDUOX-YUMQZZPRSA-N	208.265	1.570	70	20	BDID	
CCN(CC(=O)NC(C)C)Cc1occc1C	160407825	AGCFLSUPLRBPRR-UHFFFAOYSA-N	238.331	1.935	70	20	BDID	
COc1cccc(NC[C@@]2(OC)CCOC2)n1	160636191	XCHFYINOKKKFNR-LBPRGKRZSA-N	238.287	1.308	70	20	BDID	
CC[C@H](C)C[C@H](C)NC(=O)[C@@H](C)OC	160784675	ITUYWOVFRBWSML-LPEHRKFASA-N	201.310	1.962	70	20	BDID	
C[C@@H](N)C(=O)N1C[C@H](c2ccccc2)C[C@H]1C	160904021	ZRXMOHLCBMEDHS-NQBHXWOUSA-N	232.327	1.738	70	20	BDID	
C[C@H](CC(N)=O)N[C@H](C)c1cscn1	161228520	QXAZRQIXNAEPJU-RNFRBKRXSA-N	213.306	1.058	70	20	BDID	
Cc1cc(N[C@@H](CO)CC(C)(C)C)ncn1	161441545	DGFNOKBMFKDQLT-SNVBAGLBSA-N	223.320	1.994	70	20	BDID	
CSC[C@@](C)(O)CNC(=O)c1ccoc1	217650656	BXQMPGVYJMYKFD-JTQLQIEISA-N	229.301	1.123	70	20	BDID	
COC(=O)NCCC(=O)N1[C@@H](C)CC[C@H]1C	161497276	PBTPZKZBPLJQPJ-DTORHVGOSA-N	228.292	1.132	70	20	BDID	
CC[C@H](N)C(=O)NCCOC1CCCCCC1	160088443	ZMPZMNHWHYRPRJ-LBPRGKRZSA-N	242.363	1.579	70	20	BDID	
CN1CC[C@@H](N(C)OCc2ccccc2)C1=O	159618848	OSQGQEQNDWFCRQ-GFCCVEGCSA-N	234.299	1.281	70	20	BDID	
CCN(CCCO)C(=O)CC(C)(C)C	160298197	ABAICOCRJALZMM-UHFFFAOYSA-N	201.310	1.654	70	20	BDID	
CCn1nccc1CN[C@](C)(CC)CO	160204376	XPJRUUVIDRNPCR-LLVKDONJSA-N	211.309	1.154	70	20	BDID	
CCOCC(=O)N1CCc2c(F)cccc2C1	160808228	BDHQOIVEYPMOGR-UHFFFAOYSA-N	237.274	1.747	70	20	BDID	
CCCC[C@@H](C(=O)OC)N1CCC[C@@H](O)C1	218201576	PNPIVCPFONSZDM-MNOVXSKESA-N	229.320	1.175	70	20	BDID	
CC(C)N(C)C(=O)c1cc(S(=O)(=O)F)c[nH]1	1336406725	OYDGLLOAYJVIRW-UHFFFAOYSA-N	248.279	1.153	70	20	BDID	
CCCCN(CC)C(=O)N[C@H]1CCOC1	159460128	FYZPVPHCCKAJSH-JTQLQIEISA-N	214.309	1.607	70	20	BDID	
CC(C)[C@H]1CCCN1C(=O)N[C@@H]1CCOC1	159435336	MZGUZABCSPQIBV-GHMZBOCLSA-N	226.320	1.605	70	20	BDID	
CCS[C@H]1CCCCN(C(=O)[C@@H](N)CC)C1	159765591	BEKOXOBGQIBLEJ-QWRGUYRKSA-N	244.404	1.858	70	20	BDID	
COC(C)(C)[C@H](C)S(=O)(=O)Cl	301029573	UEVDBPSZZKZIOG-YFKPBYRVSA-N	200.687	1.369	70	20	BDID	
CCC(C)(CC)C(=O)NCC[C@H](C)O	159434443	LNTKXCBMXTTYPO-VIFPVBQESA-N	201.310	1.700	70	20	BDID	
Cn1cnnc1CN(Cc1ccccc1)C1CC1	160747512	YXDYLYZQIWCTHZ-UHFFFAOYSA-N	242.326	1.980	70	20	BDID	
COc1cccnc1NCc1cc(C)on1	160221828	XSSATGCYEQJXNP-UHFFFAOYSA-N	219.244	1.999	70	20	BDID	
CC(C)C[C@@H](CO)NC(=O)[C@@H](C)OCC1CC1	160916967	PNABEDBAPNVKDD-PWSUYJOCSA-N	243.347	1.325	70	20	BDID	
O=S(=O)(Cl)c1cnn(-c2cccnc2)c1	100630890	ICBUIOOHVYCOLP-UHFFFAOYSA-N	243.675	1.195	70	20	BDID	
CC[C@@H](CSC)NC(=O)CCCCO	217498140	APJBGKDPGVEYPF-VIFPVBQESA-N	219.350	1.407	70	20	BDID	
COc1ccccc1/C=C/C(=O)NCC(C)(C)N	160009409	UHLJKBVLXVUNKL-CMDGGOBGSA-N	248.326	1.562	70	20	BDID	
COC[C@H](C)S(=O)(=O)NCC1(C2CC2)CC1	160170560	RKTSHMXJDAYBQF-VIFPVBQESA-N	247.360	1.131	70	20	BDID	
O=C(Nc1nncs1)[C@@H]1CCCCO1	160346972	FZTJOEIPYOYYHL-LURJTMIESA-N	213.262	1.046	70	20	BDID	
CSCC[C@H](C)N(C)C(=O)[C@]1(F)CCNC1	159723078	XJKZXFCOSSVOED-ONGXEEELSA-N	248.367	1.288	70	20	BDID	
CC[C@@H]1CCC[C@H]1NC(=O)c1cnsn1	159598880	OEOQWNKWPZFZIN-HTQZYQBOSA-N	225.317	1.847	70	20	BDID	
COc1ccc(CCS(=O)(=O)F)cc1	258819408	IMBMZPAHXJSYNL-UHFFFAOYSA-N	218.249	1.537	70	20	BDID	
Cc1ccc(CC(=O)NCCCN)s1	160034545	HUPVVSKWZKXRCK-UHFFFAOYSA-N	212.318	1.064	70	20	BDID	
Cn1cc(COc2ccc3[nH]ccc3c2)nn1	218709645	SIFBWCLHIUEPEI-UHFFFAOYSA-N	228.255	1.875	70	20	BDID	
O=C(NCCO)Nc1c(F)cccc1Cl	217313232	FSAFIIXZLPRTAZ-UHFFFAOYSA-N	232.642	1.593	70	20	BDID	
CSCCNC(=O)N(C)C[C@@H]1CCC[C@H]1O	160483011	YUQIRJFFQWKYMA-VHSXEESVSA-N	246.376	1.152	70	20	BDID	
CCC[C@H](N)C(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	161107964	QRGMDKKMKSNOOS-MMWGEVLESA-N	240.347	1.044	70	20	BDID	
Cc1ccc(NC(=O)N[C@@H]2CCOC2)c(C)n1	159404900	KHTQRVDTOZSYKQ-SNVBAGLBSA-N	235.287	1.609	70	20	BDID	
CC(C)n1ccnc1CN1CCOC[C@@H]1C	160775450	XBIOGSLPBRGBKN-NSHDSACASA-N	223.320	1.685	70	20	BDID	
CCc1ncc(CN[C@@H](C)CC(N)=O)s1	160797984	SVXYPGYWZRZPNW-ZETCQYMHSA-N	227.333	1.059	70	20	BDID	
CC(C)(O)CSCC(=O)OC(C)(C)C	160983810	YXTAQDYDZPPWKY-UHFFFAOYSA-N	220.334	1.832	70	20	BDID	
CC[C@H](CCO)N[C@@H](C)c1ccncc1	161236207	YEUCGRKRECHZLB-CMPLNLGQSA-N	208.305	1.893	70	20	BDID	
CNC[C@H]1CCCN1C(=O)[C@@H](C)CSC	161202906	QQBCHLRVEKWYIP-VHSXEESVSA-N	230.377	1.196	70	20	BDID	
Cc1ccc(CCS(=O)(=O)Cl)nc1	307120562	HWSCXRCUBUKJCX-UHFFFAOYSA-N	219.693	1.501	70	20	BDID	
CCn1c(C(F)F)nnc1S(=O)(=O)Cl	227586575	NGVRYYFWROTECH-UHFFFAOYSA-N	245.638	1.163	70	20	BDID	
C[C@@H](NC(=O)c1cncc(O)c1)C1CCC1	160225748	PSPZMYFNWAIQLX-MRVPVSSYSA-N	220.272	1.706	70	20	BDID	
CC[C@@H](C)OCC(=O)N(C)C[C@H]1CCCCO1	160421204	KWYYEQZNGJFOMG-VXGBXAGGSA-N	243.347	1.829	70	20	BDID	
CC[C@H](SC)C(=O)N[C@@H](CO)CC(C)C	160842981	LYISLRHTHZLBHP-ZJUUUORDSA-N	233.377	1.651	70	20	BDID	
CS[C@H]1CCCN(CC(F)(F)F)C1=O	159612509	SGHFBIPQNPCQTM-LURJTMIESA-N	227.251	1.903	70	20	BDID	
Cc1ccnc(NC(=O)c2cccc(=O)n2C)c1	159740094	FKHZLVPNVKRUJK-UHFFFAOYSA-N	243.266	1.341	70	20	BDID	
CCCCN(CCOC)C(=O)[C@H]1CCCNC1	159551493	CKLCBNREPCAWPA-LBPRGKRZSA-N	242.363	1.261	70	20	BDID	
CC(C)NC(=S)N[C@@H]1CCOC(C)(C)C1	159748183	UEGMDAYABWICCS-SECBINFHSA-N	230.377	1.817	70	20	BDID	
C[C@H](Cc1ccc(Cl)cc1)NCCN	218187714	FUBSTVUYRHCNSD-SECBINFHSA-N	212.724	1.819	70	20	BDID	
C[C@@H](N)C(=O)NC[C@H]1CCCO[C@H]1C(C)(C)C	161177393	LIQDDMOPYPRDTH-GMTAPVOTSA-N	242.363	1.291	70	20	BDID	
CCO[C@H](C)C(=O)Nc1ccc(OC)c(N)c1	161326002	WLZNZMCJGACAGZ-MRVPVSSYSA-N	238.287	1.641	70	20	BDID	
CC[C@H]1C(=O)NCCN1c1ccnc(C(C)C)n1	160416597	DAFKXKIFCODPDB-JTQLQIEISA-N	248.330	1.315	70	20	BDID	
c1csc(N2CCN(c3cnccn3)CC2)c1	160683077	HSKRNEDLHBFICA-UHFFFAOYSA-N	246.339	1.865	70	20	BDID	
CC[C@H](C)OCC(=O)NCc1cnc(C)s1	160968002	DWCDOUAGHIKRMK-QMMMGPOBSA-N	242.344	1.883	70	20	BDID	
CCCC[C@H](COC)NC(=O)C[C@H]1CCCN1	159654892	UCIIXCSZYPVRLG-VXGBXAGGSA-N	242.363	1.450	70	20	BDID	
O=C(OC[C@@H]1CCOC1)c1cnccc1Cl	161406696	QGVKYTBJAGILDP-MRVPVSSYSA-N	241.674	1.928	70	20	BDID	
Cc1cc(S(=O)(=O)F)cc(C(=O)O)c1C	238855300	RLDRMGRTGZCRLH-UHFFFAOYSA-N	232.232	1.660	70	20	BDID	
CCCN(C(=O)[C@H]1CCn2ccnc2C1)C1CC1	161401641	JTLFEHCLYVEHLE-NSHDSACASA-N	247.342	1.847	70	20	BDID	
CCN(CC)C(=O)N1CC[C@H](N)C[C@@H]1C	160168016	WRRPTRZXNLHYMQ-UWVGGRQHSA-N	213.325	1.260	70	20	BDID	
CCNC(=O)CN1CC[C@@H]2CCCC[C@@H]21	160551892	VAQVRTDECIZQCG-QWRGUYRKSA-N	210.321	1.387	70	20	BDID	
CCCC[C@@H](CC)N[C@H](C)CC(N)=O	160674145	UMLTXTDKMKQPJZ-NXEZZACHSA-N	200.326	1.809	70	20	BDID	
CCNC(=O)Cc1cccc(OCCOC)c1	160780925	SRQULUKCQKKNGE-UHFFFAOYSA-N	237.299	1.390	70	20	BDID	
Cc1noc(C)c1C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160727072	BFUUZCFQSJQKGB-PHIMTYICSA-N	249.314	1.258	70	20	BDID	
CCN1C(=O)c2ccc(OC)cc2C1=O	217053875	JDTIQXKGAGINQJ-UHFFFAOYSA-N	205.213	1.311	70	20	BDID	
CN(CCc1ccc(F)cc1)Cc1nncn1C	160838159	KAKYLTCRBWAVOQ-UHFFFAOYSA-N	248.305	1.629	70	20	BDID	
CCCNC(=O)[C@H](C)N(CC)Cc1ccccn1	161055115	CMBNCZMHATUUQE-LBPRGKRZSA-N	249.358	1.818	70	20	BDID	
CC[C@@H](CO)NC(=O)[C@@H]1CCCC1(C)C	217851070	AXBGDDYUYAFJBP-UWVGGRQHSA-N	213.321	1.700	70	20	BDID	
NC1(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CC1	159820271	GXTVHHPWUHXRMI-ZDUSSCGKSA-N	244.338	1.615	70	20	BDID	
CCN(CCCO)C(=O)c1ccoc1C	160321770	NTZOHVAMXUXEQE-UHFFFAOYSA-N	211.261	1.433	70	20	BDID	
O=C(Nc1nccs1)N[C@@H]1CCOC1	159391107	OVEMCZJGCYDWDT-ZCFIWIBFSA-N	213.262	1.054	70	20	BDID	
C[C@@H]1CC[C@@H](C)N1C(=O)C(=O)c1cnn(C)c1	161494075	SNMVBZJRLAHAOV-RKDXNWHRSA-N	235.287	1.002	70	20	BDID	
CC(C)(C)c1cnc(S(=O)(=O)CCO)s1	160393448	VLZJGTKJQYUNQA-UHFFFAOYSA-N	249.357	1.207	70	20	BDID	
CC(C)C[C@H](CO)NC(=O)CC1(O)CCCC1	160643137	VGXMKRPLJODLRQ-LLVKDONJSA-N	243.347	1.205	70	20	BDID	
CC[C@@]1(C)CCCN(C(=O)[C@H]2CSCN2)C1	160775753	SZHYYWMDDLPJAS-PWSUYJOCSA-N	242.388	1.688	70	20	BDID	
CC(=O)N1CCCc2cc(NC(N)=O)ccc21	160859922	UCMWFUDXZRWGGA-UHFFFAOYSA-N	233.271	1.476	70	20	BDID	
Cc1cc(NC(=O)C2=CCCC2)c[nH]c1=O	159837496	WWHBMAITQYRQMO-UHFFFAOYSA-N	218.256	1.732	70	20	BDID	
Cc1nc(N(C)CCN(C)C)nc2ccccc12	218481830	LHHMVRBTSDZWQB-UHFFFAOYSA-N	244.342	1.936	70	20	BDID	
C[C@H](N[C@H](C)CC(N)=O)c1cncs1	160672977	DUPPRMNMMCQHOP-RQJHMYQMSA-N	213.306	1.058	70	20	BDID	
NC(=O)c1cccc(NC(=O)[C@@H]2CCCCO2)c1	160017129	LAEFYYLMKODMDK-NSHDSACASA-N	248.282	1.293	70	20	BDID	
COc1cccnc1NCC(=O)NC(C)C	160210177	MIRDBCFDHFXEOQ-UHFFFAOYSA-N	223.276	1.027	70	20	BDID	
CCCC1(CNC(=O)Cc2ccn[nH]2)CC1	160528408	NXUYBFTXZSFRHI-UHFFFAOYSA-N	221.304	1.649	70	20	BDID	
C[C@H](N[C@@H]1CCOC1=O)c1cccc(F)c1F	159517330	JDORKSACFUMKQU-OIBJUYFYSA-N	241.237	1.931	70	20	BDID	
Cc1ccc(NC(=O)C(=O)NC2CCCC2)cn1	159735012	OJQONEBKLFAJGU-UHFFFAOYSA-N	247.298	1.387	70	20	BDID	
O=C(CN1CC[C@@H]2CCCC[C@@H]21)N1CCCC1	160544215	ZJTPNGHLBCDCCU-STQMWFEESA-N	236.359	1.873	70	20	BDID	
Cc1cccnc1CN[C@@H](C)CN(C)C	159475181	YJZSBBZIGJNZOB-NSHDSACASA-N	207.321	1.430	70	20	BDID	
CCc1noc(CN(C)CCOCC2CC2)n1	160302872	SGGSAIAVXPUNQJ-UHFFFAOYSA-N	239.319	1.490	70	20	BDID	
C[C@H](NC[C@H](C)CCO)c1cscn1	161214927	YZUFXVHGALCPAY-BDAKNGLRSA-N	214.334	1.812	70	20	BDID	
CCCN1CCCN(C(=O)c2ccc[nH]2)CC1	160388523	ZFGLGLOPNCKCRR-UHFFFAOYSA-N	235.331	1.573	70	20	BDID	
Cn1cc(CCC(=O)Nc2cccc(F)n2)cn1	160507709	YWZOPHOWCOOEJE-UHFFFAOYSA-N	248.261	1.526	70	20	BDID	
CCC[C@H](C)CC(=O)NC[C@H](C)CCO	160923433	KCIQQJAUJQOGCF-WDEREUQCSA-N	215.337	1.947	70	20	BDID	
CC(C)(N)CNC(=O)C1=Cc2ccccc2OC1	159951814	DYFCDBXBRGPLMK-UHFFFAOYSA-N	246.310	1.316	70	20	BDID	
CCC(=O)N1CC[C@H](N[C@H](C)c2ccccn2)C1	159385626	GHBNWFKWMJVDAC-NEPJUHHUSA-N	247.342	1.743	70	20	BDID	
CC[C@H](C)[C@H](O)CNC(=O)C(CC)(CC)CN	161224750	GFDUDDDNDZBJKF-WDEREUQCSA-N	244.379	1.275	70	20	BDID	
C[C@H](CO)C1CCN(CC(F)(F)F)CC1	218358214	ZHKHUSUHYLKWRS-MRVPVSSYSA-N	225.254	1.889	70	20	BDID	
CCN(CCCO)c1nc(C2CC2)ns1	161420368	BMXBCNJAQNMAJF-UHFFFAOYSA-N	227.333	1.624	70	20	BDID	
O=S(=O)(Cl)c1c(F)cc(O)cc1F	104535599	DYCRDFUWMUUPAY-UHFFFAOYSA-N	228.603	1.598	70	20	BDID	
Cc1nc2n(n1)C[C@H](N[C@H](C)C1(C)CC1)CC2	160513255	HFXHGMWXPKHBRN-MWLCHTKSSA-N	234.347	1.680	70	20	BDID	
CONC(=O)[C@@H]1C[C@H]1c1sccc1C	160759949	VNKSLUFZTUWFAY-HTQZYQBOSA-N	211.286	1.838	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccccn1	160768285	XPZJCUHSGMCNOG-SECBINFHSA-N	236.271	1.153	70	20	BDID	
CC(C)(C)C(=O)NOCc1cccnc1	160846726	ZIZKQZFMXCTWJO-UHFFFAOYSA-N	208.261	1.676	70	20	BDID	
CC[C@H]1CCC[C@H]1NC(=O)CN1CCCC1=O	159828763	DTMCIHIKEUVWEG-WDEREUQCSA-N	238.331	1.304	70	20	BDID	
COc1cccnc1NC[C@H]1CCOC1	159450978	MFVCUDXCQLNTLF-SECBINFHSA-N	208.261	1.539	70	20	BDID	
COc1cccc(CS(=O)(=O)F)c1	147404803	ASWNRDSVVYQJTJ-UHFFFAOYSA-N	204.222	1.495	70	20	BDID	
O=C1CCc2cc(S(=O)(=O)F)ccc2N1	105411968	DJZWJUIONWWOEH-UHFFFAOYSA-N	229.232	1.230	70	20	BDID	
CC[C@]1(C)C[C@H]1C(=O)Nc1nncs1	160300402	IXYPGQYWLBLZMU-IMTBSYHQSA-N	211.290	1.913	70	20	BDID	
CC(C)[C@H](O)CC(=O)NC[C@@H]1CCCC[C@@H]1O	160723077	JFTMUPOYHFGUMQ-SDDRHHMPSA-N	243.347	1.061	70	20	BDID	
CC[C@H](N)C(=O)N1CCOc2cc(F)ccc21	160815585	OHCCINBCMBONBY-VIFPVBQESA-N	238.262	1.288	70	20	BDID	
O=C(N[C@@H]1CCOC1)N1C[C@@H]2CCC[C@H]2C1	159445258	GJHUJYWGCOVHFC-GARJFASQSA-N	224.304	1.217	70	20	BDID	
COC[C@@H](C)CNC(=O)c1ccncc1F	161428781	OQRKDLZRSCUOIC-QMMMGPOBSA-N	226.251	1.233	70	20	BDID	
CSC[C@@](C)(O)CNC(=O)CC(F)(F)F	217706579	IMTGWOYDGXKTNG-ZETCQYMHSA-N	245.266	1.169	70	20	BDID	
CC(C)CSCCCNC(=O)c1cn[nH]c1	160651824	RMWUIQSNTQVTBB-UHFFFAOYSA-N	241.360	1.919	70	20	BDID	
CC(C)[C@H](C)N(C)C(=O)N[C@@H]1CCOC1	159542813	LJDCPXQZWARJGP-VHSXEESVSA-N	214.309	1.461	70	20	BDID	
S=C(Nc1ccccc1)N[C@@H]1CCOC1	159582522	SYRCNMLXMIKWJI-SNVBAGLBSA-N	222.313	1.762	70	20	BDID	
C[C@@H]1CCN(C(=O)N[C@@H]2CCOC2)[C@H](C)C1	159440664	NRDBZGFCHBSPBR-GMTAPVOTSA-N	226.320	1.605	70	20	BDID	
COc1cccc([C@@H]2C[C@H]2C(=O)N2CC(O)C2)c1	161418039	HQDHFVIUZDQCKC-QWHCGFSZSA-N	247.294	1.002	70	20	BDID	
C[C@H](C(=O)N1CCC[C@H]1CN)c1cccs1	160218220	KQENKBFPZBAIQM-UWVGGRQHSA-N	238.356	1.801	70	20	BDID	
OCC1(COc2ccc3[nH]ccc3c2)COC1	160072497	FGLFIEGQZFANPX-UHFFFAOYSA-N	233.267	1.556	70	20	BDID	
CC(C)CC1(CNC(=O)[C@@H](C)N)CCC1	160671548	ZTVPKIOLTQAAAW-SNVBAGLBSA-N	212.337	1.666	70	20	BDID	
C[C@@H]1CCc2ncc(S(=O)(=O)Cl)n2C1	100468245	WYRHTFAZNHYCPV-ZCFIWIBFSA-N	234.708	1.393	70	20	BDID	
Cc1ccc(NC(=O)[C@@H](C)N)cc1OC(F)F	160091768	DQLVBIVJTRBFQF-SSDOTTSWSA-N	244.241	1.882	70	20	BDID	
CC(C)(N)CNC(=O)CSC(F)(F)F	159963704	SJFJDJBFCYBTEQ-UHFFFAOYSA-N	230.255	1.093	70	20	BDID	
CC(C)(C)CCC(=O)NCc1ncc[nH]1	159860993	WANIDKXXKJCWDH-UHFFFAOYSA-N	209.293	1.852	70	20	BDID	
CCC(C)(C)C(=O)NCC1=CCNCC1	160513782	JJAJELALZCHSSS-UHFFFAOYSA-N	210.321	1.459	70	20	BDID	
O=S(=O)(F)c1c[nH]c2cccc(F)c12	721863218	UNQVUNJMRVMDPO-UHFFFAOYSA-N	217.196	1.965	70	20	BDID	
Cc1noc(C)c1C[C@H](C)NC(=O)CCCN	161365353	CWLIDUZCBJXREC-QMMMGPOBSA-N	239.319	1.078	70	20	BDID	
CCOc1ccc(CCC(=O)N2CC(O)C2)cc1	161461608	LIKZWVDHTSCFGA-UHFFFAOYSA-N	249.310	1.221	70	20	BDID	
CN[C@H]1CCN(C(=O)c2cccc3c2CCC3)C1	160488454	DYUAOZRFLNOSSD-LBPRGKRZSA-N	244.338	1.609	70	20	BDID	
NCCCC(=O)NC[C@H]1CCc2ccccc21	159734435	OPKKFGPVBRAWIV-GFCCVEGCSA-N	232.327	1.572	70	20	BDID	
C[C@@H]1CN(C(=O)c2ccncc2F)CCS1	161430501	MKZXPHNMUHKPSC-MRVPVSSYSA-N	240.303	1.798	70	20	BDID	
Cc1ccc2c(c1)CCN2CCS(=O)(=O)F	883954655	VNRRWLQPCCABGY-UHFFFAOYSA-N	243.303	1.657	70	20	BDID	
CCn1cc(C(=O)N2[C@@H](C)CC[C@H]2C)cn1	161502731	CWARNCMBFNBYAR-AOOOYVTPSA-N	221.304	1.916	70	20	BDID	
CCCC1(CNC(=O)[C@@H]2CC(=O)N(C)C2)CC1	160733271	XDASTXSIYOGOSK-SNVBAGLBSA-N	238.331	1.161	70	20	BDID	
C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCOC1	159402061	JWIWRCHXWXEOCL-OPRDCNLKSA-N	212.293	1.263	70	20	BDID	
CCCCS(=O)(=O)NCC1(C2CC2)CC1	160160049	OTLIKZUOPHAUNW-UHFFFAOYSA-N	231.361	1.896	70	20	BDID	
CS[C@H](C)CC(=O)Nc1nc(C)no1	160570047	BIMXIEMWCLTCPM-RXMQYKEDSA-N	215.278	1.458	70	20	BDID	
NC(=O)[C@@H]1CCCN1Cc1coc2ccccc12	160319631	LMBMDGYJRHKPPR-LBPRGKRZSA-N	244.294	1.883	70	20	BDID	
CCCn1nnc2c(Cl)cccc2c1=O	218117777	JINOVCBNGMUYBG-UHFFFAOYSA-N	223.663	1.855	70	20	BDID	
CN(CCOCC1CC1)C[C@@H]1CCCCO1	159536242	KGZRTNXWFBPGPZ-ZDUSSCGKSA-N	227.348	1.914	70	20	BDID	
Cc1ccccc1NC(=O)N(C)CCO	217310823	DMBRBLZMJLWIQB-UHFFFAOYSA-N	208.261	1.451	70	20	BDID	
CC[C@@H](C)[C@@H](N)C(=O)Nc1nnc(C)s1	160914801	FPZHJGAETFEPNN-IYSWYEEDSA-N	228.321	1.158	70	20	BDID	
C[C@]1(C(=O)N2CCCC2)C[C@H]1Br	141211570	QHHUVBWNQPNCCC-APPZFPTMSA-N	232.121	1.782	70	20	BDID	
O=[N+]([O-])c1ccc(CS(=O)(=O)Cl)o1	88251136	GDEPEMILSJQYBU-UHFFFAOYSA-N	225.609	1.256	70	20	BDID	
CON(C)C(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2	218182010	ZFRYYFYPSBHQFG-ITSCGTHASA-N	239.315	1.338	70	20	BDID	
CNC[C@H]1CCCN1C(=O)C=C1CCC1	161209001	QERINYXAAQYRGR-LLVKDONJSA-N	208.305	1.307	70	20	BDID	
NC(=O)c1cccc(NC(=O)[C@H]2CCCCO2)c1	160017250	LAEFYYLMKODMDK-LLVKDONJSA-N	248.282	1.293	70	20	BDID	
CSc1cc(C(=O)NC[C@H](C)CO)ccn1	160428875	CHNGXCYWKABRIZ-QMMMGPOBSA-N	240.328	1.162	70	20	BDID	
Cn1c(C(=O)N2C[C@@H]3CC[C@@H]2C3)cccc1=O	160723061	BIMRPMKJKDQAAA-NXEZZACHSA-N	232.283	1.010	70	20	BDID	
Cn1c(C(=O)NC2(C)CCCCC2)cccc1=O	160794653	ALOKLAIZBCDDGZ-UHFFFAOYSA-N	248.326	1.838	70	20	BDID	
CC1(C)CCN(C(=O)N[C@H]2CCOC2)CC1	159560890	UZWGIXOAQVOHDJ-JTQLQIEISA-N	226.320	1.607	70	20	BDID	
C[C@H]1C[C@@H](C)CN(CCS(=O)(=O)Cl)C1	306673235	NAYRJCCOYGWPOU-DTORHVGOSA-N	239.768	1.533	70	20	BDID	
CCOC(=O)[C@@H](C)Nc1cc(C)n(C)n1	159613490	NJGVLGQCFGMPIH-MRVPVSSYSA-N	211.265	1.092	70	20	BDID	
CCNCCNCc1ccc(C)c(F)c1	161298958	DMWGLHQRRYEELV-UHFFFAOYSA-N	210.296	1.833	70	20	BDID	
C[C@@H](Cc1ccc(F)cc1)NC[C@@H](C)N	218299917	XIYHAARGCWDGHR-ZJUUUORDSA-N	210.296	1.694	70	20	BDID	
CS(=O)(=O)Cc1ccc(-n2cccn2)cc1	161209242	LKKBJVJZAHIMPL-UHFFFAOYSA-N	236.296	1.417	70	20	BDID	
Cc1cccc([C@@H](C)NC(=O)[C@@H](C)N)c1C	160834104	YWQPWMKMHIHMSL-GHMZBOCLSA-N	220.316	1.828	70	20	BDID	
Cc1cnccc1CNCc1csnn1	160592214	WZHCWSVRDYYFMJ-UHFFFAOYSA-N	220.301	1.531	70	20	BDID	
CC(C)C1CCN(C(=O)C2(N)CC2)CC1	161267231	ZWXSTJKJYRWSJI-UHFFFAOYSA-N	210.321	1.372	70	20	BDID	
CNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F	159821344	SKZVJEOPOVTIIU-YUMQZZPRSA-N	211.211	1.814	70	20	BDID	
CC[C@H](Sc1nncc2ccccc12)C(N)=O	160237939	BPNNVUJVQWXVCP-JTQLQIEISA-N	247.323	1.986	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)[C@@H](C)C1CC1	160389060	OSMFTGFPLDHEMO-BDAKNGLRSA-N	227.304	1.490	70	20	BDID	
CC[C@H](C)CN(CC)[C@@H](C)C(=O)N(C)C	160521357	NUTZWGQDVQRAAH-QWRGUYRKSA-N	214.353	1.831	70	20	BDID	
CCOC(=O)C[C@@H](C)NC(=O)c1ccc[nH]1	160694442	LAZHBDKCXUZXCR-MRVPVSSYSA-N	224.260	1.086	70	20	BDID	
C[C@@H](N)C(=O)NCCCc1cccc(F)c1	159451303	OROLXVSSGWYORP-SECBINFHSA-N	224.279	1.222	70	20	BDID	
C[C@@H](NC(=O)CNC(C)(C)C)C1CCC1	160205630	LGJZQWLTUDRUNE-SECBINFHSA-N	212.337	1.679	70	20	BDID	
CCCCCN1CCN(C(=O)OC)CC1	218117537	NOORTXSTMCJVIW-UHFFFAOYSA-N	214.309	1.561	70	20	BDID	
CN(Cc1cccn1C)C(=O)[C@@H]1C[C@@H]2CC[C@@H]1O2	160489974	XXPHIXCGUACVQQ-XQQFMLRXSA-N	248.326	1.551	70	20	BDID	
CCN(C)C(=O)Cc1c(C)noc1Cl	159921659	TVQMRQONVOINJY-UHFFFAOYSA-N	216.668	1.657	70	20	BDID	
COC(=O)C1(N(C)CCOC(C)C)CCCC1	159384012	VQJIMTKGRFCTJB-UHFFFAOYSA-N	243.347	1.829	70	20	BDID	
N#Cc1ccccc1OCCS(=O)(=O)Cl	108304135	LEZTUKGQKLQDRH-UHFFFAOYSA-N	245.687	1.506	70	20	BDID	
COCCCS(=O)(=O)NCC1(C2CC2)CC1	160144897	ZZCUEZXWIDQFMD-UHFFFAOYSA-N	247.360	1.133	70	20	BDID	
Cc1cc(C)c(C(=O)Nc2ccn(C)n2)[nH]1	160026246	XYWDRKWSDVEPHC-UHFFFAOYSA-N	218.260	1.617	70	20	BDID	
Cc1cc(NC(=O)c2cscn2)c[nH]c1=O	159462244	CBOAUWIFCFUSIT-UHFFFAOYSA-N	235.268	1.392	70	20	BDID	
CCc1noc([C@@H](C)Nc2cc(C)n(C)n2)n1	159582058	NFSSFGNRMALWAV-MRVPVSSYSA-N	235.291	1.847	70	20	BDID	
Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@H](C1)N2	160382764	HKAKZVUEJXXOLM-BETUJISGSA-N	244.338	1.962	70	20	BDID