smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	844120527	ZLYMWOTUUQYPGN-MWLCHTKSSA-N	372.399	-0.240	10	20	FBCD	
NC(=O)CC(=O)NCCC1=CCN(c2nccnc2-c2nn[nH]n2)CC1	1592725211	NOEVMBITDPZOGF-UHFFFAOYSA-N	357.378	-0.825	10	20	FBCD	
COc1ccc(N2CC[C@H](NC(=O)C(=O)NC[C@H](F)C(=O)O)C2)cc1	1607269500	OGBSRXVYRKZPET-GWCFXTLKSA-N	353.350	-0.071	10	20	FBCD	
CCNc1nc(NCC)n2c(SCC(=O)N[C@H](C)C(N)=O)nnc2n1	54134390	TZGADHZGMUUDIQ-SSDOTTSWSA-N	367.439	-0.535	10	20	FBCD	
CS(=O)(=O)NCCNC(=O)NCc1ccc(N2CCOCC2)cc1	54786015	QVSRUUFWSZSZIN-UHFFFAOYSA-N	356.448	-0.128	10	20	FBCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCO[C@H](C(N)=O)C1	297800880	KGJGUEUCHNBCLO-HNNXBMFYSA-N	362.430	-0.186	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@H]3CC(=O)N(C)C3)CC2)cc1	818994680	IYMSMPIBTDHACM-RDJZCZTQSA-N	362.474	-0.002	10	20	FBCD	
CNS(=O)(=O)c1cc(NS(=O)(=O)N2CCCOCC2)ccc1O	844665631	KQFNQPOYULORDA-UHFFFAOYSA-N	365.433	-0.321	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3CCCNS3(=O)=O)CC2)cc1	853710978	HAZDUYVXMRCBCH-UHFFFAOYSA-N	368.459	-0.116	10	20	FBCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)N1CC(F)C1	1327405852	GSLACWLJAQWRSI-UHFFFAOYSA-N	369.418	-0.282	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3CCO[C@H](C(N)=O)C3)CC2)cc1	51104570	IRDFQGYYNUNUFB-INIZCTEOSA-N	362.430	-0.470	10	20	FBCD	
CN(CC(=O)NCc1ccc(N(C)C)cc1)C[C@@H](O)CN1CCOCC1	83245713	MOOXRJCQUUFCHE-GOSISDBHSA-N	364.490	-0.006	10	20	FBCD	
Cc1nc(S(=O)(=O)NCC(=O)NCCc2ccc(O)c(O)c2)cn1C	762267281	AITUMOIYULQXOC-UHFFFAOYSA-N	368.415	-0.223	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1CCn2ncnc2C1	788319663	MMXDTDIUQHRYIE-UHFFFAOYSA-N	370.413	-0.227	10	20	FBCD	
CNC[C@@H](O)CNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843081424	RUXJLBJUCSMQCH-IAGOWNOFSA-N	352.479	-0.652	10	20	FBCD	
C[C@@H]1CN(c2ccc(CNC(=O)CNC(CO)CO)cc2F)C[C@@H](C)O1	846941142	ZLAJPHOQCJQPSG-CHWSQXEVSA-N	369.437	-0.002	10	20	FBCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCN2C(=O)NC[C@H]2C1	1261089655	UAOQQCMGGBCYNC-INIZCTEOSA-N	369.425	-0.085	10	20	FBCD	
CNC(=O)CC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2	1793500509	WBOSCXSJJRHORT-ZSBIGDGJSA-N	362.386	-0.119	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccno1	1794738727	FMCYFWQRFPJZGK-QHBPRCKVSA-N	374.353	-0.002	10	20	FBCD	
COC(=O)CCN(CC(=O)O)C(=O)c1cc(NS(C)(=O)=O)ccc1O	1593838741	MYRYTFQFYVIVPA-UHFFFAOYSA-N	374.371	-0.146	10	20	FBCD	
CCOC(=O)CN(CC(N)=O)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769734856	NEAFNMLDAMOZQR-UHFFFAOYSA-N	373.387	-0.746	10	20	FBCD	
CO[C@H]1CS(=O)(=O)C[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O	849362244	QVJRCWJCRHJKKW-AAEUAGOBSA-N	354.384	-0.032	10	20	FBCD	
NC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCO1	284309124	VQWYVBVQPPXXLD-OAHLLOKOSA-N	360.414	-0.384	10	20	FBCD	
COc1cc(C(=O)N[C@@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc(OC)n1	941653576	ABPILZLNYFSENQ-UTUOFQBUSA-N	362.386	-0.449	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1C[C@@H]2C[C@]2(CO)C1	1323195578	VEGHCGMPFBFKQK-HNAYVOBHSA-N	359.426	-0.020	10	20	FBCD	
COC(=O)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1	728610117	VDIKRLNTCOIRGX-GFCCVEGCSA-N	358.372	-0.222	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N2C[C@@H](O)[C@H](CO)C2)cc1	846276438	RBOAMSYPPBMYBW-XJKSGUPXSA-N	365.430	-0.599	10	20	FBCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NCc1cn(C)nn1	1261529609	HBEGGVNPTUQSAV-UHFFFAOYSA-N	372.429	-0.074	10	20	FBCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CSCC(N)=O	1320271736	DYKILAGGOLURMX-JTQLQIEISA-N	356.400	-0.093	10	20	FBCD	
COc1ccc(O)c(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)c1	734019106	XFUWQJKPOXXJMD-UHFFFAOYSA-N	354.388	-0.049	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1CCn2cnnc2C1	788320872	QKAMYPHYRXIZIT-UHFFFAOYSA-N	370.413	-0.227	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)CNC(=O)CNC(C)=O)C2)cc1	819583787	WEIHRIRGDSFOJB-AWEZNQCLSA-N	362.430	-0.110	10	20	FBCD	
COCCN1C(=O)/C(=C/NC2CCN(C(C)=O)CC2)C(=O)NC1=S	1317929512	JWMQOLKDDSLOBX-FMIVXFBMSA-N	354.432	-0.640	10	20	FBCD	
NS(=O)(=O)CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	1328710796	DWTJFBRJKLTUAF-UHFFFAOYSA-N	356.448	-0.265	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CC(=O)N(CCOC)C3)nc12	282541941	SQNKKRHCFJZDSB-UHFFFAOYSA-N	363.374	-0.140	10	20	FBCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)NC(CO)CO)cc2)C1	745691860	PGCFFZHOAPQALA-CYBMUJFWSA-N	350.419	-0.459	10	20	FBCD	
NCC(F)(F)CNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	851688519	CESOICLRKKIAPM-UHFFFAOYSA-N	370.400	-0.026	10	20	FBCD	
CNS(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	1328340183	VCCHPMAIRVDULG-ZDUSSCGKSA-N	369.443	-0.109	10	20	FBCD	
O=C1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCN1	51261170	KSIMJZMUTJPYLN-UHFFFAOYSA-N	350.394	-0.290	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC(=O)NCC(F)F)c1	280145820	COSOJHZLZUSUJX-UHFFFAOYSA-N	351.331	-0.125	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN(CCN)CCO)CC2)cc1	923332254	RELJMTMECJUBQS-QGZVFWFLSA-N	352.479	-0.569	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2C(=O)CNC2=O)c1	265096202	VRWCTLZYXALDGK-UHFFFAOYSA-N	356.360	-0.955	10	20	FBCD	
O=C(C[C@@H]1CC(=O)N1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1328439982	WXDGCKPJOFKAMC-CYBMUJFWSA-N	351.428	-0.184	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N2C[C@@H](O)[C@@H](CO)C2)cc1	846276437	RBOAMSYPPBMYBW-CZUORRHYSA-N	365.430	-0.599	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN(C)[C@@H]3COC[C@H]3O)CC2)cc1	886515395	BLQYJRULEIRMNS-QXAKKESOSA-N	365.474	-0.130	10	20	FBCD	
CN(C)C(=O)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	851923462	QZJJTFJYMYMVRU-UHFFFAOYSA-N	368.459	-0.191	10	20	FBCD	
COc1ccc(N2CCN(CCNC(=O)NCc3nnn(C)n3)CC2)cc1	787098682	JBJAQGSSHVGUIZ-UHFFFAOYSA-N	374.449	-0.160	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)c3cn(C)c(=O)n(C)c3=O)cc2)CC1	881851211	PXKBFBASMIJUSV-UHFFFAOYSA-N	371.441	-0.234	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NC[C@@H]3CNC(=O)C3)C2)cc1	1326253164	QHBRCPNNKCFTAS-KBPBESRZSA-N	374.441	-0.110	10	20	FBCD	
COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	1328425863	OYVMYSYJTZTVOL-OLZOCXBDSA-N	350.371	-0.267	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@](C)(CO)C(=O)O)CC2)cc1	1607270804	RAYCBYIOVKZYHD-CRAIPNDOSA-N	367.446	-0.397	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN3C[C@H](O)C[C@H]3CO)CC2)cc1	770665551	IRKPVVOZOATGIM-RCCFBDPRSA-N	365.474	-0.394	10	20	FBCD	
CCOC(=O)[C@H](N)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1329937382	NBHZRKVQXRVIDL-CQSZACIVSA-N	369.443	-0.572	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)NCC(=O)N(C)C)CC2)cc1F	275387292	FUGYNTPMXFAZBL-UHFFFAOYSA-N	366.393	-0.313	10	20	FBCD	
COc1ccc(N2CCN(CC(=O)N3CCNC(=O)C3)CC2)cc1F	84866369	QXMFDSIRIWAWLP-UHFFFAOYSA-N	350.394	-0.085	10	20	FBCD	
CN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1ccccc1O	267353969	GMALUEHJSDFATP-LBPRGKRZSA-N	355.416	-0.163	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)Nc3ncn(C)n3)cc2)CC1	1119457480	YMEGQFZBNUXLTK-UHFFFAOYSA-N	357.418	-0.178	10	20	FBCD	
Cc1ccc(O)c(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1	862761300	MWXOFKOJNOIQEX-UHFFFAOYSA-N	357.370	-0.236	10	20	FBCD	
COCCS(=O)(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	726975843	FNWFPNXBVFMTCZ-UHFFFAOYSA-N	362.473	-0.013	10	20	FBCD	
O=C(Cn1cnc(-c2nn[nH]n2)n1)NCc1ccc(N2CCOCC2)cc1	823131311	FSQJEZMPZXRLPR-UHFFFAOYSA-N	369.389	-0.389	10	20	FBCD	
COC[C@H](O)CNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843075848	AWWXCEBVHKCDIR-IAGOWNOFSA-N	353.463	-0.225	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)NC[C@@H](O)Cn3ccnn3)cc2)CC1	889663072	MDHHTFQKEQMSGY-QGZVFWFLSA-N	373.461	-0.110	10	20	FBCD	
CCN(C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1)[C@@H]1CCNC1	1332378118	VNGPRJHSKLBOBD-LSDHHAIUSA-N	372.425	-0.254	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1F	1257536396	NWVCBFJYGLKCQR-SMDDNHRTSA-N	366.393	-0.343	10	20	FBCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)NC(CO)CO)cc2)C1	745691861	PGCFFZHOAPQALA-ZDUSSCGKSA-N	350.419	-0.459	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N[C@H]1CCNC1	851686444	OGULBMDBRVDRLM-ZDUSSCGKSA-N	350.394	-0.243	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)Cn3cc(CCN)nn3)CC2)cc1	881419027	KPINGBYHBKVMBC-KRWDZBQOSA-N	360.462	-0.029	10	20	FBCD	
O=C1CN(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)CCN1	900754554	KVSMDUFLPISMEM-UHFFFAOYSA-N	360.458	-0.057	10	20	FBCD	
CN1CCN(C)[C@H](CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1	285693233	KQEDPADIROZMON-CQSZACIVSA-N	365.453	-0.130	10	20	FBCD	
C[C@H](NC(=O)C(=O)N1CCNC(=O)C1)c1ccc(N2CCOCC2)cc1	803299290	IWPNMCGEPSVFJD-ZDUSSCGKSA-N	360.414	-0.341	10	20	FBCD	
CN(C)c1ccc2c(c1)OCCN2C(=O)Cn1cnc(-c2nn[nH]n2)n1	821589244	FAOKAMKIFWDVJW-UHFFFAOYSA-N	355.362	-0.050	10	20	FBCD	
O=C(NCCCSc1nccs1)C(=O)NCCN1CCNCC1	842093759	SSGGTFGPYOOARR-UHFFFAOYSA-N	357.505	-0.237	10	20	FBCD	
CN1C(=O)C(=Cc2cnc3ccc(-c4nn[nH]n4)cn23)C(=O)N(C)C1=O	736844647	WQASFYDAUCFASG-UHFFFAOYSA-N	352.314	-0.052	10	20	FBCD	
O=C(C(=O)N1CCN(C(=O)c2cccc(O)c2O)CC1)N1CCOCC1	776321604	UFTXCOSXCQBAAI-UHFFFAOYSA-N	363.370	-0.759	10	20	FBCD	
COC(=O)[C@@](C)(CO)NCC(=O)N1CCN(c2ccc(OC)cc2)CC1	852158096	RLNVJMXJIPNEIF-GOSISDBHSA-N	365.430	-0.143	10	20	FBCD	
COC(=O)CN(CCN1CCN(C)CC1)C(=O)c1cccc(O)c1O	281619244	FRWKILCBRZPQCU-UHFFFAOYSA-N	351.403	-0.040	10	20	FBCD	
COCCN1C(=O)/C(=C\NCCCN2CCOCC2)C(=O)NC1=S	60861168	ZOPUAGAWHXSVBJ-QXMHVHEDSA-N	356.448	-0.928	10	20	FBCD	
O=C1CN(c2ccc(NC(=O)C(=O)NCc3ccccc3O)cn2)CCN1	1324986514	CRHTUWRJRMUSDC-UHFFFAOYSA-N	369.381	-0.022	10	20	FBCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCOC3)cc2)C1	793734096	PNZGVJUEMYZPGV-CABCVRRESA-N	374.441	-0.090	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN2C(=O)NC(=O)[C@@H]2C1	762351039	SQLXZQVOEANCLT-HNNXBMFYSA-N	359.430	-0.053	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNCC(=O)N(C)OC)CC2)cc1	819373836	KWZVXIVOKUUZIA-INIZCTEOSA-N	366.462	-0.213	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1	1324899433	QSXWBEPCUYUVCB-CABCVRRESA-N	362.430	-0.174	10	20	FBCD	
COCCN1C(=O)/C(=C/NNc2ncncc2Cl)C(=O)NC1=S	780142096	CEBVQDUKBARRGA-QPJJXVBHSA-N	356.795	-0.180	10	20	FBCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CN1CCNCC1=O	843489761	UBCCPVMPNWESMF-UHFFFAOYSA-N	369.805	-0.021	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN[C@@]3(C(N)=O)CCOC3)CC2)cc1	847053105	PDVMOTDJNFTRHC-SFHVURJKSA-N	362.430	-0.422	10	20	FBCD	
C[C@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)S(C)(=O)=O	1347856205	CJWQSKXYVSMUQA-GFCCVEGCSA-N	374.484	-0.029	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](O)[C@H]2C(=O)O)c1	1599761565	SCPURKZEPXFOGR-NEPJUHHUSA-N	358.372	-0.186	10	20	FBCD	
O=C1NC(=S)NC(=O)C1=CNc1ccc([N+](=O)[O-])cc1-c1nn[nH]n1	1609590042	QFZUGDIPADEHEX-UHFFFAOYSA-N	360.315	-0.398	10	20	FBCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCO[C@@H](C(N)=O)C1	297800885	KGJGUEUCHNBCLO-OAHLLOKOSA-N	362.430	-0.186	10	20	FBCD	
CN(C)c1ccc(CNC(=O)Cn2cc(CN3CCNC(=O)C3)nn2)cc1	883997638	VIGGZRJUURQYJW-UHFFFAOYSA-N	371.445	-0.408	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1F	1257536394	NWVCBFJYGLKCQR-RISCZKNCSA-N	366.393	-0.343	10	20	FBCD	
Cc1nc(N2CC=C(CCNC(=O)C(N)=O)CC2)ccc1-c1nn[nH]n1	1592366653	OWDFZDOXGHIPFO-UHFFFAOYSA-N	356.390	-0.302	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CC(C(N)=O)=NO2)c1	276665844	UGIKZBBEAPYEJZ-MRVPVSSYSA-N	356.360	-0.876	10	20	FBCD	
COc1ccc(O)c([C@@H](C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1	751319321	VPTQDDLCHIZTNQ-SECBINFHSA-N	369.399	-0.162	10	20	FBCD	
CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	850841194	JDCCFTAQPMETHL-UHFFFAOYSA-N	355.420	-0.842	10	20	FBCD	
COc1cc(C(=O)N[C@H]2C[C@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc(OC)n1	973463640	OZYZLJKWFSOUJH-KKOKHZNYSA-N	362.386	-0.403	10	20	FBCD	
CN1CCN(c2ccc(CNCCNS(=O)(=O)N(C)C)cc2)CC1	839089116	ADUVUJFBHXRTTP-UHFFFAOYSA-N	355.508	-0.076	10	20	FBCD	
C[C@H]1CN(c2ccc(CNC(=O)CNC(CO)CO)cc2F)C[C@@H](C)O1	846941139	ZLAJPHOQCJQPSG-BETUJISGSA-N	369.437	-0.002	10	20	FBCD	
CNC(=O)[C@H](C)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	852500871	SLGFGXXCVSFEJS-LBPRGKRZSA-N	368.459	-0.145	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3C[C@@H](CO)[C@@H](CO)C3)CC2)cc1	879692807	DIEBJPGILBDFNP-IYBDPMFKSA-N	363.458	-0.124	10	20	FBCD	
CNC(=O)Cn1cnc(NC(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)n1	1320397095	DXASNNOQXNQTCN-NSHDSACASA-N	373.417	-0.094	10	20	FBCD	
CN1CCN(c2nnnn2Cc2ccc(N3CCOCC3)cc2)CC1=O	1334526409	YWWKVDNYXNFOGI-UHFFFAOYSA-N	357.418	-0.164	10	20	FBCD	
O=C(NCCC1=CCN(c2cncc(-c3nn[nH]n3)n2)CC1)c1nc[nH]n1	1606758506	VPZIITQMOGXJSJ-UHFFFAOYSA-N	367.377	-0.269	10	20	FBCD	
C[C@H](CN)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2	1842872446	ZMHJWIYNKCLAGX-SNVBAGLBSA-N	370.500	-0.355	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NCC(=O)N(C)C)cc2)CC1	891145634	BVURDEJYCUCOIX-UHFFFAOYSA-N	361.446	-0.741	10	20	FBCD	
CO[C@@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2	1801039954	WTJDUIAIVZYCDV-BTABJRDXSA-N	365.386	-0.269	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@@H](N2CCNCC2=O)C1	1327838723	BWPWMNDCGSPPEX-OAHLLOKOSA-N	374.441	-0.227	10	20	FBCD	
O=C(/C=C/c1ccc(O)c(O)c1O)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O	1847449005	JQFFQAGLLABHIH-LOMYTOQZSA-N	364.354	-0.671	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3C(=O)CNC3=O)CC2)c(OC)c1	1118983363	XEUIMBUTKATMBE-UHFFFAOYSA-N	362.386	-0.096	10	20	FBCD	
C[C@H](C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)n1cnnn1	1843251260	NUZCYSGZVVEMHV-SNVBAGLBSA-N	373.373	-0.443	10	20	FBCD	
C[S@@](=O)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	789800364	OCSSCQRQOOEREA-RUZDIDTESA-N	371.434	-0.227	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N3CCNC(=O)C3)C2)cc1	824973965	PGTUSFSPIUPCAK-ZDUSSCGKSA-N	360.414	-0.404	10	20	FBCD	
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC[S@@](C)=O)N(C)C)cc1	930022301	WGWIUELQRRHQMU-SGANQWHYSA-N	368.503	-0.034	10	20	FBCD	
CNC(=O)CNC(=O)/C=C\C(=O)N1CCN(c2ccc(OC)cc2)CC1	778220215	SHYHIIXDOXTGDF-FPLPWBNLSA-N	360.414	-0.238	10	20	FBCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CNS(=O)(=O)N(C)C	816825558	GYZOCUMQXNWXBE-UHFFFAOYSA-N	370.475	-0.122	10	20	FBCD	
CN(C)c1ccc([C@H](CNC(=O)C(=O)N2CCNC(=O)C2)N(C)C)cc1	934312168	CIVOWVJIEFPPGY-HNNXBMFYSA-N	361.446	-0.570	10	20	FBCD	
C[C@@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1	1796138254	NJNCZPAONCNBSK-BTABJRDXSA-N	364.402	-0.709	10	20	FBCD	
CN(C)c1ccc(CNC(=O)CN(CCO)CCN2CCOCC2)cc1	839503105	JIEQASFQHKLWMO-UHFFFAOYSA-N	364.490	-0.005	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N[C@H]3CCN(C)C3=O)C2)cc1	1118175215	VSMQMGZRNBVIJM-BBRMVZONSA-N	374.441	-0.015	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)c1	268458052	ZJWZQZGEHABODW-SKDRFNHKSA-N	357.388	-0.474	10	20	FBCD	
CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCO1	283438242	JTHJSKBUDGKAQI-MRXNPFEDSA-N	362.430	-0.268	10	20	FBCD	
CN(C)CCN(CC(=O)O)C(=O)c1cc(NS(C)(=O)=O)ccc1O	820539665	VGSQCFRFXCGJNP-UHFFFAOYSA-N	359.404	-0.148	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N[C@@H]3CCN(C)C3=O)C2)cc1	1118175217	VSMQMGZRNBVIJM-CZUORRHYSA-N	374.441	-0.015	10	20	FBCD	
C[C@@H](C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1)n1cnnn1	1843251259	NUZCYSGZVVEMHV-JTQLQIEISA-N	373.373	-0.443	10	20	FBCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1	284316655	WCCZUOWCDOWJJM-OAHLLOKOSA-N	362.430	-0.138	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H](O)C[C@H]3CO)CC2)cc1	764979943	IRKPVVOZOATGIM-BZSNNMDCSA-N	365.474	-0.394	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)N3CCO[C@@H](C(=O)O)C3)ccc21	817109025	YZJDYPHHLZZKAH-OAHLLOKOSA-N	361.398	-0.003	10	20	FBCD	
NCCn1cc(C(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)nn1	851629733	VZOKBZIDIIGHLT-CQSZACIVSA-N	371.445	-0.132	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NCC(F)(F)CN)cc2)CC1	884721951	AYAXDGKCGLXZDW-UHFFFAOYSA-N	369.416	-0.235	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN(CCO)CCO)CC2)cc1	754028540	YMNWQRRIJUFKMD-KRWDZBQOSA-N	353.463	-0.535	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNC[C@@H]3CNC(=O)C3)CC2)cc1	819365914	DUXAYNSWTLIOBL-WBVHZDCISA-N	362.474	-0.096	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N[C@@H]3CC(=O)N(C)C3)C2)cc1	1332024630	DCLHRMZQAHXCFH-ZIAGYGMSSA-N	374.441	-0.015	10	20	FBCD	
CC[C@@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CSC1=S	1847497386	NQEDOUCFGPHIKX-GARJFASQSA-N	371.484	-0.181	10	20	FBCD	
CCNc1nc(NCC)n2c(SCC(=O)N3CC(O)C3)nnc2n1	268840200	ALUWFAGMILSJSO-UHFFFAOYSA-N	352.424	-0.322	10	20	FBCD	
CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)C(C)=O)cc1	808485392	OLRRVEDEDVADTP-UHFFFAOYSA-N	371.367	-0.157	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNC[C@@H]3CNC(=O)C3)CC2)cc1	819365912	DUXAYNSWTLIOBL-NVXWUHKLSA-N	362.474	-0.096	10	20	FBCD	
Cn1c(=O)ccn(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)c1=O	856210140	PAYPQXUQEOUFPH-UHFFFAOYSA-N	372.425	-0.176	10	20	FBCD	
CNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C	1322718342	IMRQGQFGSDRKEN-UHFFFAOYSA-N	356.448	-0.657	10	20	FBCD	
NC(=O)CC(=O)NCCC1=CCN(c2ccc(-c3nn[nH]n3)nc2)CC1	1581889191	BOMKGNBCGXRGEZ-UHFFFAOYSA-N	356.390	-0.220	10	20	FBCD	
CO[C@@H]1CS(=O)(=O)C[C@@H]1N1C(=O)CN(Cc2ccccc2O)C1=O	849362246	QVJRCWJCRHJKKW-WCQYABFASA-N	354.384	-0.032	10	20	FBCD	
NCC(F)(F)CNC(=O)C(=O)C(=O)C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1CC2	1325719666	ZZXYKEBTEBMYJF-DCAQKATOSA-N	357.357	-0.447	10	20	FBCD	
NCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21	1786795351	FJLJMLLJQVPBEU-DLOVCJGASA-N	350.375	-0.955	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCC(=O)N2CCOCC2)c1	55184448	VUTRJDRAWQEDOK-UHFFFAOYSA-N	371.415	-0.258	10	20	FBCD	
COc1ccc(O)c(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)c1	759637254	QSTXUGRTAGZTJU-UHFFFAOYSA-N	357.432	-0.406	10	20	FBCD	
O=C1N[C@H](CO)C(=O)N1Cc1ccc(N2CCS(=O)(=O)CC2)cc1	1334371467	VHOVXJLJMHBPKK-CYBMUJFWSA-N	353.400	-0.666	10	20	FBCD	
CS(=O)(=O)N1CCN(CCNC(=O)NCc2ccc(N)cc2)CC1	1579344813	ZIYAKXKXTUCHGA-UHFFFAOYSA-N	355.464	-0.355	10	20	FBCD	
Cn1cnc2c1c(=O)n(CC(=O)NCCc1ccc(N)cc1)c(=O)n2C	237819229	PKWNPZILYWRUTE-UHFFFAOYSA-N	356.386	-0.625	10	20	FBCD	
COC(=O)CN(Cc1cc(Cl)ccc1O)C(=O)CN1CCNC(=O)C1	901327400	PINHSAVFPLSEGW-UHFFFAOYSA-N	369.805	-0.021	10	20	FBCD	
CC[C@H](O)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2	1841284201	DKDHHISGTBJZPR-JTQLQIEISA-N	371.484	-0.179	10	20	FBCD	
CNC(=O)NCCNC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	1336838160	BYUXHUXIEDYYDR-INIZCTEOSA-N	365.478	-0.303	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)ccc21	285708219	LZVPQDPIHUTOAY-HNNXBMFYSA-N	360.414	-0.602	10	20	FBCD	
C[C@@H](CC(N)=O)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	820985638	BHZNBMUHFLFEQX-LBPRGKRZSA-N	368.459	-0.016	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCNC3)CC2)c(OC)c1	884677872	IFRPIANQOYRSLR-CYBMUJFWSA-N	362.430	-0.170	10	20	FBCD	
O=C(COCCO)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1	1796604439	GXHZMRBITJVKAZ-CLLJXQQHSA-N	365.386	-0.247	10	20	FBCD	
CCS(=O)(=O)NCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1	1327320645	WUUJQTSSSGJSFZ-UHFFFAOYSA-N	356.448	-0.576	10	20	FBCD	
CC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2	1836417970	SHNISKNRXCDRAD-MRXNPFEDSA-N	351.359	-0.417	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC(=O)N2CCOCC2)c1	271998944	GVYMDXFWURKLMV-UHFFFAOYSA-N	357.388	-0.648	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NCCNC(=O)c2cc[nH]n2)cc1	1327318738	LGIXSWJWSPXZBB-UHFFFAOYSA-N	358.402	-0.362	10	20	FBCD	
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2ncn(C)n2)N(C)C)cc1	1354584794	PPLOPPNJDKKLLE-HNNXBMFYSA-N	373.461	-0.084	10	20	FBCD	
CCNS(=O)(=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O	731835304	YIBZLCBPXJGIEI-UHFFFAOYSA-N	365.433	-0.567	10	20	FBCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1C[C@@H](O)[C@@H](CO)C1	817862424	YIITZUUUEYJVNT-YSVLISHTSA-N	363.458	-0.080	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@H](CO)CN(C)C)CC2)cc1	843117578	QPSHTMGHIAWZSR-FUHWJXTLSA-N	366.506	-0.310	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)[C@@H](N)CCS(C)(=O)=O)cc2)CC1	1337069737	ZJTCWDHFPVEGSN-INIZCTEOSA-N	368.503	-0.183	10	20	FBCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1	265205705	CDEFYKNOPMFQDJ-UONOGXRCSA-N	371.415	-0.112	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN[C@]3(C(N)=O)CCOC3)CC2)cc1	847053104	PDVMOTDJNFTRHC-GOSISDBHSA-N	362.430	-0.422	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCNC(=O)c1cc[nH]n1	1261180857	LHXZNEAQDDPDJM-UHFFFAOYSA-N	372.429	-0.020	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)cc1F	1606054123	NSJBOGMRGDIYQI-NWDGAFQWSA-N	367.377	-0.198	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)NC[C@H]3CNC(=O)C3)C2)cc1	1326253167	QHBRCPNNKCFTAS-ZIAGYGMSSA-N	374.441	-0.110	10	20	FBCD	
O=C(NCCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1nc[nH]n1	1593060082	JRROHVSRVUYIBY-UHFFFAOYSA-N	367.377	-0.269	10	20	FBCD	
C[C@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2	1795510859	GJBOLUVNXSUHJE-ADGXKJENSA-N	364.402	-0.709	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C3CN(S(C)(=O)=O)C3)cc2)CC1	918906345	NBGJQMHWDUCYBC-UHFFFAOYSA-N	366.487	-0.054	10	20	FBCD	
CC(=O)N1CCO[C@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1	1785538445	PUFPTVQDZCDAPW-CQSZACIVSA-N	357.457	-0.304	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@H]1CCS(=O)(=O)N1	845237654	VFCZVDQQBBLNIT-CYBMUJFWSA-N	357.407	-0.030	10	20	FBCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)NCCC(N)=O)CC2)cc1	778288037	CXDYKRFWNLPGPT-VOTSOKGWSA-N	360.414	-0.108	10	20	FBCD	
O=C1C[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CCN1	1843251069	SVPRULPEUQJQNF-LLVKDONJSA-N	374.397	-0.164	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCN1C(=O)CCC1=O	1323454501	ZPMUOKDSPDRKLJ-UHFFFAOYSA-N	360.414	-0.058	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N3CCN(C)C(=O)C3)cc2)CC1	898321229	ZHWGRSHPYLHNGQ-UHFFFAOYSA-N	373.457	-0.645	10	20	FBCD	
CCS(=O)(=O)N1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1	1120350514	FFDAZSXTAJKAPR-UHFFFAOYSA-N	368.459	-0.579	10	20	FBCD	
COC[C@H](O)C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	766140670	QLCJQYZXPVQMRV-HNNXBMFYSA-N	370.377	-0.171	10	20	FBCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H]3CNC(=O)C3)CC2)cc1	755922291	ATMGTFJDILDOKM-LMVHVUTASA-N	372.425	-0.095	10	20	FBCD	
C[C@H]1CN(c2ccc(CNC(=O)CNC(CO)CO)cc2F)C[C@H](C)O1	846941144	ZLAJPHOQCJQPSG-STQMWFEESA-N	369.437	-0.002	10	20	FBCD	
CO[C@H](C)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2	1801039953	WTJDUIAIVZYCDV-ADGXKJENSA-N	365.386	-0.269	10	20	FBCD	
CC[C@@H](O)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2	1841284202	DKDHHISGTBJZPR-SNVBAGLBSA-N	371.484	-0.179	10	20	FBCD	
N[C@@H]1CCN(C(=O)C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	842048323	YKAQYJMBJJSPSK-GFCCVEGCSA-N	368.384	-0.023	10	20	FBCD	
COC(=O)CCNC(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O	920636411	UJJLJXWBYHHFRI-UHFFFAOYSA-N	374.371	-0.400	10	20	FBCD	
C[C@H]1C(=O)N(C)CCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	1345065412	JFTBRRPOCDSZOA-AWEZNQCLSA-N	374.441	-0.172	10	20	FBCD	
Cn1cc([C@@H](O)CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1	743648725	OZTUCCCZFGYUEI-ZDUSSCGKSA-N	354.388	-0.039	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N(C)CCNS(C)(=O)=O	1326815586	DSUGQCUKLWIRIG-UHFFFAOYSA-N	370.475	-0.315	10	20	FBCD	
NC(=O)c1ncn(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)n1	1331279317	NLCPPQXMGKHBON-UHFFFAOYSA-N	358.402	-0.346	10	20	FBCD	
CN(CC(=O)NC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2	270369526	TZPSPEDNUIIDHT-JTQLQIEISA-N	369.399	-0.136	10	20	FBCD	
C[C@H](NC(=O)C(=O)NCC(=O)N1CCNCC1)c1ccc(N(C)C)cc1	842201745	AXMWUMXUDCYYMA-ZDUSSCGKSA-N	361.446	-0.522	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN3C[C@@H](O)C[C@H]3CO)CC2)cc1	770665313	IRKPVVOZOATGIM-OKZBNKHCSA-N	365.474	-0.394	10	20	FBCD	
CNC(=O)CCNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	1338450116	RZRULNXMGPOBKL-MRXNPFEDSA-N	350.463	-0.096	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@H](C(=O)O)[C@@H](C)O)CC2)cc1	1607270173	IQNKEDJZDBVNFJ-UNEWFSDZSA-N	367.446	-0.398	10	20	FBCD	
C[C@H](CN)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1	1796138125	NJNCZPAONCNBSK-ADGXKJENSA-N	364.402	-0.709	10	20	FBCD	
NC[C@H](N)C(=O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1	1845501232	PGEVUNTUGNJTDS-NSHDSACASA-N	368.821	-0.146	10	20	FBCD	
CCNc1nc(NCC)n2c(SCC(=O)N(C)CC(N)=O)nnc2n1	299276060	XEZPJEACBTWGLZ-UHFFFAOYSA-N	367.439	-0.581	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H](CN)C3CC3)cc2)CC1	884706371	ARUCUEXJLRLOSK-KRWDZBQOSA-N	359.474	-0.092	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N(C)[C@@H]2CCNC2=O)cc1	1329701585	AHJCVNCRLGHAGP-OAHLLOKOSA-N	362.430	-0.063	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NC[C@H](F)C(=O)O)cc2)CC1	1606245722	SHTPWQGDIMNXAA-AWEZNQCLSA-N	366.393	-0.407	10	20	FBCD	
COC(=O)C[C@@H]1C(=O)NCCN1CC(=O)NCc1ccc(N(C)C)cc1	7356387	HIJUIJDJMCZICK-OAHLLOKOSA-N	362.430	-0.268	10	20	FBCD	
COCCN1C(=O)/C(=C\NNc2ccc(OC)cn2)C(=O)NC1=S	275429860	GAUBCYQHXALCIA-NTMALXAHSA-N	351.388	-0.220	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCn2cc(CO)nn2)c1	811597583	CLFRDNKBBMYNDG-UHFFFAOYSA-N	369.403	-0.332	10	20	FBCD	
NC(=O)c1ncn(CC(=O)NCc2ccc(N3CCC(CO)CC3)cc2)n1	845567197	UTUVLVBNPWBRJN-UHFFFAOYSA-N	372.429	-0.098	10	20	FBCD	
O=C(NCCC1=CCN(c2cnc(-c3nn[nH]n3)cn2)CC1)c1cnon1	1593060145	MAVKJZMUNRPQDQ-UHFFFAOYSA-N	368.361	-0.004	10	20	FBCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CN3CCNCC3)cc2)C1	876731974	QPFKPQNXLQRJMM-MRXNPFEDSA-N	359.474	-0.090	10	20	FBCD	
O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CCN1	1843251070	SVPRULPEUQJQNF-NSHDSACASA-N	374.397	-0.164	10	20	FBCD	
CC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)C(N)=O	746133181	DYQYLAOCAACUKI-AWEZNQCLSA-N	366.393	-0.341	10	20	FBCD	
CNS(=O)(=O)CC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	751564114	VOKBUGVSMLUTKZ-CYBMUJFWSA-N	368.459	-0.446	10	20	FBCD	
CCOCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1	1796137239	DAJJYUQPTSQFMC-DRXBFXEBSA-N	365.386	-0.268	10	20	FBCD	
CCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S	1802104466	OWRQXVVHKVAXHE-WDAIWFPHSA-N	371.484	-0.154	10	20	FBCD	
O=C1CN(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)CCN1	900901278	MFUODYCKDLHVNJ-UHFFFAOYSA-N	364.421	-0.165	10	20	FBCD	
COCCN1C(=O)/C(=C/Nc2cccc(-n3cnnn3)c2)C(=O)NC1=S	920980542	PFHFAUADGBTTAE-XYOKQWHBSA-N	373.398	-0.152	10	20	FBCD	
CNC(=O)[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1	297750106	GWCQCDZXMJLHJY-OAHLLOKOSA-N	362.430	-0.316	10	20	FBCD	
COc1ccc(N2CCCN(C(=O)C(=O)NCC(=O)N(C)C)CC2)cc1	372905686	QHBPVAFCRWBRNR-UHFFFAOYSA-N	362.430	-0.062	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNCCS(C)(=O)=O)CC2)cc1	818963549	VCRODZKGAHAUSU-MRXNPFEDSA-N	371.503	-0.188	10	20	FBCD	
C[C@@H]1CNCCN1C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1	843057966	JCGUBLLUNRQCMY-OCCSQVGLSA-N	358.398	-0.644	10	20	FBCD	
CC(=O)NCCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	851907601	GOBOQUNSARYEHD-UHFFFAOYSA-N	368.459	-0.143	10	20	FBCD	
CNC(=O)[C@H](C)NC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	1336783918	LKDGFBFWOQFZOY-GOEBONIOSA-N	350.463	-0.098	10	20	FBCD	
COc1ccc(N(CC(=O)O)CC(=O)N[C@H]2CCC(=O)N(C)C2=O)cc1	853010506	DLDOVRVOSAWYMJ-ZDUSSCGKSA-N	363.370	-0.150	10	20	FBCD	
O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cc(O)cs2)CC1	732274274	QFTSWACOQQTXRV-UHFFFAOYSA-N	351.384	-0.113	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN3CC(=O)N[C@H](C)C3)CC2)cc1	831762249	CCWHHGNGJYALIZ-NVXWUHKLSA-N	362.474	-0.002	10	20	FBCD	
O=C(c1cc(O)cs1)N1CC(n2cc(-c3nn[nH]n3)c(O)nc2=O)C1	1582689917	BIIXKDSMBFSIDT-UHFFFAOYSA-N	361.343	-0.407	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN(C)[C@@H]3CCNC3=O)CC2)cc1	754077032	ZANHASRJBPKUQW-SJLPKXTDSA-N	362.474	-0.002	10	20	FBCD	
C[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	1119458693	BLOUFPBDVXCSIV-RISCZKNCSA-N	353.444	-0.082	10	20	FBCD	
C[S@](=O)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	789800368	OCSSCQRQOOEREA-VWLOTQADSA-N	371.434	-0.227	10	20	FBCD	
C[C@H]1CNCCN1C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	885210085	JJBCILUIWPMKGY-HNNXBMFYSA-N	359.474	-0.125	10	20	FBCD	
COCCN1C(=O)/C(=C/Nc2ccc(-n3cnnn3)cc2)C(=O)NC1=S	920978915	OJSLJFNLDCEUKM-XYOKQWHBSA-N	373.398	-0.152	10	20	FBCD	
O=S1(=O)CCN(c2ccc(CNS(=O)(=O)N3CCC3)cc2)CC1	795826714	XARQUBNLBDMRLG-UHFFFAOYSA-N	359.473	-0.039	10	20	FBCD	
C[C@H](N)CNC(=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1328368453	SXXYMVICCGWCBZ-LBPRGKRZSA-N	368.459	-0.999	10	20	FBCD	
O=C(CN1CCNCC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1330593643	VVZRILJIVDBKRG-UHFFFAOYSA-N	366.487	-0.557	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN3C(=O)NC(=O)[C@@H]3C2)c1	1319279810	DOTQNXHHUWVUJZ-JTQLQIEISA-N	368.371	-0.860	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CNC(=O)C3)cc2)CC1	1350483075	LQJSZGOLPLHWHF-HNNXBMFYSA-N	373.457	-0.693	10	20	FBCD	
O=C(CN1C(=O)[C@@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NCCc1ccc(O)c(O)c1	270538516	IYULEDZSEHPVKE-XOUADPBQSA-N	360.366	-0.081	10	20	FBCD	
CNCCCN(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1	1326233535	ZITUIMUMCIAHJA-AWEZNQCLSA-N	360.414	-0.396	10	20	FBCD	
CN1C(=O)CC[C@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1=O	1326701234	JFPSPMKFCUKSLL-AWEZNQCLSA-N	372.425	-0.051	10	20	FBCD	
COC(=O)C[C@H](N)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1327865358	QECFGNLKEMOGDH-AWEZNQCLSA-N	369.443	-0.572	10	20	FBCD	
CC[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1	1796136407	BEBDPNJWIWJKCN-OXIQGZBJSA-N	365.386	-0.533	10	20	FBCD	
Cn1nnc(CNC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)n1	787013576	KJAYXFIYAHWHMI-ZDUSSCGKSA-N	372.433	-0.089	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(=O)N1CCNCC1	842227958	ZYZHTJBBZPLKRZ-UHFFFAOYSA-N	361.446	-0.741	10	20	FBCD	
C[C@@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21	1791050343	QZKVFHAXFNTQPA-URBCHYCLSA-N	365.386	-0.533	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cn[nH]c1	1796572901	FTXZGSOHNXICIK-JJLQDPRZSA-N	373.369	-0.267	10	20	FBCD	
Cn1cc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(O)c(O)c2)cn1	782857873	OVSUIGGCNPWDAR-UHFFFAOYSA-N	369.355	-0.464	10	20	FBCD	
O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)Cn2cncn2)C1	1843080471	JZBKGFLWAARHFQ-UHFFFAOYSA-N	358.358	-0.399	10	20	FBCD	
O=C(NCCNC(=O)C1CC1)C(=O)NCc1ccc(N2CCOCC2)cc1	1325592114	XELSQKUKGDMLGJ-UHFFFAOYSA-N	374.441	-0.218	10	20	FBCD	
C[C@H](NC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1)C(=O)N(C)C	1346756650	CDCPIEBITIUUMD-ZDUSSCGKSA-N	362.430	-0.268	10	20	FBCD	
COc1ccc(-n2nnnc2CN2C[C@@H](O)[C@H](NC(=O)C3CC3)C2)cc1	1076661272	VLWGZHHEMPLSSN-HUUCEWRRSA-N	358.402	-0.258	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCN(C)C3=O)cc2)CC1	1332908221	FMCXDGXLNZIFAM-MRXNPFEDSA-N	373.457	-0.599	10	20	FBCD	
COC(=O)[C@](C)(CO)NCC(=O)N1CCN(c2ccc(OC)cc2)CC1	852158097	RLNVJMXJIPNEIF-SFHVURJKSA-N	365.430	-0.143	10	20	FBCD	
COC[C@H](CO)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	852500928	SVDLWACJIZLSDV-AWEZNQCLSA-N	371.459	-0.272	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1	1329685319	WWGXTZNGQSQFLD-LSDHHAIUSA-N	362.430	-0.140	10	20	FBCD	
Cc1[nH]c(-c2ccncc2)nc(=NNC=C2C(=O)NC(=S)NC2=O)c1C	729688396	XIRDUZIUZZFHOH-UHFFFAOYSA-N	369.410	-0.091	10	20	FBCD	
CC(=O)N[C@@H](CC(=O)NCc1ccc(N2CCC(O)CC2)cc1)C(N)=O	1328844740	VCDJJIHRNMVJDB-INIZCTEOSA-N	362.430	-0.356	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)N3CC[C@H](N)C3)CC2)c(OC)c1	868388736	ZBDWAELHJZLWDT-ZDUSSCGKSA-N	362.430	-0.088	10	20	FBCD	
CN(C)c1ccc(CN(C)c2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)cc1	1591031548	NNMLTBAKLLRLAC-UHFFFAOYSA-N	370.417	-0.034	10	20	FBCD	
C[C@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1	1783519030	JCKSIKDZHCWGOH-QFYYESIMSA-N	351.359	-0.683	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cn[nH]c1)C2)c1cc(O)nc(O)c1	1796137713	OWQQEBKLHFBXHP-JJLQDPRZSA-N	373.369	-0.267	10	20	FBCD	
COCCN1C(=O)/C(=C\N[C@@H](CC(C)C)C(=O)OC)C(=O)NC1=S	60864675	BYNFTMDGQWEQEM-IEHMKBBKSA-N	357.432	-0.063	10	20	FBCD	
COc1ccc(O)c(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1	271838181	SISDDEPXJOKIHX-UHFFFAOYSA-N	363.414	-0.096	10	20	FBCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCCNS(C)(=O)=O)cc1	1322183405	LTCHOCKYVZDFRU-UHFFFAOYSA-N	370.475	-0.186	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(COC(=O)CN3CCOCC3)nc12	778851531	VFEJPSQWLWUYRI-UHFFFAOYSA-N	364.358	-0.013	10	20	FBCD	
CN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1=O	856210887	AAEBVDDXQNOHNV-UHFFFAOYSA-N	374.397	-0.316	10	20	FBCD	
CN(C)S(=O)(=O)N1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768440746	GHBLTEUMWCXOEF-AWEZNQCLSA-N	357.432	-0.258	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNC[C@@]3(O)CCOC3)CC2)cc1	1262570427	VVVZXUZLMPCGCV-HKUYNNGSSA-N	365.474	-0.081	10	20	FBCD	
NC(=O)CC(=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1024287189	JNYDHVUEJLNLNC-GHMZBOCLSA-N	362.346	-0.974	10	20	FBCD	
C[C@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1	1783519029	JCKSIKDZHCWGOH-MGPLVRAMSA-N	351.359	-0.683	10	20	FBCD	
COCC(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1	1847056963	XJSFYTHBRSNCME-UHFFFAOYSA-N	357.457	-0.304	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCc2nc(O)n[nH]2)c1	748383961	ZDQOBKKPGFTEAX-UHFFFAOYSA-N	355.376	-0.050	10	20	FBCD	
C[C@H]1CN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CCN1S(C)(=O)=O	1326553566	SENHBWBTJXWIDP-VIFPVBQESA-N	369.403	-0.401	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCC[C@H](N2CCNCC2=O)C1	1327838722	BWPWMNDCGSPPEX-HNNXBMFYSA-N	374.441	-0.227	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNC[C@H](O)C(=O)O)CC2)cc1	1599585498	TWUIJNRHEIMKDS-HOCLYGCPSA-N	353.419	-0.787	10	20	FBCD	
O=C(CN1CCNCC1=O)NCc1ccc(N2CCC(CO)CC2)cc1	165486116	YLCBMJZLMUMDSK-UHFFFAOYSA-N	360.458	-0.057	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1COCCN1	861761375	DRGBGALFAHPMKP-OAHLLOKOSA-N	362.430	-0.756	10	20	FBCD	
CCN1CCN(CC(=O)NCc2ccc(N3CCOCC3)cc2)C(=O)C1=O	299149746	SIVMYFVZROMYES-UHFFFAOYSA-N	374.441	-0.170	10	20	FBCD	
C[C@H]1CN(C(=O)C(=O)C(=O)C(=O)N2CC[C@H](c3cccnc3)C2)CCN1	843058361	PTRCJOJTOSRGSU-JSGCOSHPSA-N	358.398	-0.644	10	20	FBCD	
CN1CCN(c2ccc(CNCCn3cnc(-c4nn[nH]n4)n3)cc2)CC1	1604867056	MKFKOIYVFNMIMF-UHFFFAOYSA-N	368.449	0.000	10	20	FBCD	
CC[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2	1792861440	KADMRWRSECRWRW-OXIQGZBJSA-N	365.386	-0.533	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)N(C)CCN)CC2)c(OC)c1	868390218	GHKRVPRVZMOUMY-UHFFFAOYSA-N	350.419	-0.231	10	20	FBCD	
Cn1c(=O)c2ccc(C(=O)NCc3ccc(O)c(O)c3)nc2n(C)c1=O	768914985	PMVYDHQZMACWEL-UHFFFAOYSA-N	356.338	-0.027	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N[C@H](CN)C3CC3)cc2)CC1	884706372	ARUCUEXJLRLOSK-QGZVFWFLSA-N	359.474	-0.092	10	20	FBCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CNCCN3C)cc2)CC1	1263125627	ONXRWTDFQQDQAW-SFHVURJKSA-N	359.474	-0.125	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCN(c2cnn(C)c2)C(=O)C1	1326912358	SIIVCGWOAHPLBT-UHFFFAOYSA-N	371.397	-0.041	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)N3CCNC(=O)C3)CC2)cc1F	1331155791	AJKAKMSSSYBTJG-UHFFFAOYSA-N	364.377	-0.559	10	20	FBCD	
O=C(NCCN1C(=O)CNC1=O)C(=O)NCc1ccc(N2CC=CC2)cc1	1342491991	TTZCQMSUDKHQPN-UHFFFAOYSA-N	371.397	-0.653	10	20	FBCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1	832299538	CMGDGEKGXMIQQN-CVEARBPZSA-N	368.503	-0.013	10	20	FBCD	
CN1C(=O)CC[C@@H](NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1=O	1345689167	TXNCVKNSELJVMO-GFCCVEGCSA-N	364.377	-0.229	10	20	FBCD	
CNC(=O)CC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1	1796600816	GBIHHGMLKROAHQ-ZSBIGDGJSA-N	362.386	-0.119	10	20	FBCD	
CN1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O	1117032654	SRCQDNYFZYIHEU-AWEZNQCLSA-N	360.414	-0.514	10	20	FBCD	
CONC(=O)CNC(=O)C(=O)NCc1ccc(N2CCSCC2)cc1	1333271707	JBRFUPTXMBJGQR-UHFFFAOYSA-N	366.443	-0.350	10	20	FBCD	
NC[C@H](N)C(=O)N1CCCC12CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2	1843350118	GWDGGZRRVGJNIX-NSHDSACASA-N	368.821	-0.146	10	20	FBCD	
CNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	1322169973	ADJLPXWCLNFEHE-UHFFFAOYSA-N	360.411	-0.827	10	20	FBCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H]3CNC(=O)C3)CC2)cc1	755922294	ATMGTFJDILDOKM-UZYOAWRESA-N	372.425	-0.095	10	20	FBCD	
C[C@@H](NC(=O)C(=O)NCC(=O)N1CCNCC1)c1ccc(N(C)C)cc1	842201744	AXMWUMXUDCYYMA-CYBMUJFWSA-N	361.446	-0.522	10	20	FBCD	
O=C(NCCN1C(=O)CCC1=O)C(=O)NCc1ccc(N2CC=CC2)cc1	1117328166	SMQZHIMLTWQCHX-UHFFFAOYSA-N	370.409	-0.056	10	20	FBCD	
C[C@@H](NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O)c1ccccc1O	1605404007	WYYACOXKDODZLU-MRVPVSSYSA-N	357.330	-0.288	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCNC(=O)[C@H]1CC(=O)O	737476174	FOVVOTGPMWBXJA-OAHLLOKOSA-N	362.430	-0.014	10	20	FBCD	
COc1cccc(O)c1CN1CCn2c(nn(CC(=O)N(C)C)c2=O)C1	786577675	CIULPVLGGDVWMO-UHFFFAOYSA-N	361.402	-0.137	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](O)[C@H]2C(=O)O)c1	1599761567	SCPURKZEPXFOGR-RYUDHWBXSA-N	358.372	-0.186	10	20	FBCD	
COC[C@H](O)C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1	766138476	PXFWOAMDANUZTL-HNNXBMFYSA-N	352.387	-0.106	10	20	FBCD	
CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)CCO1	807099984	DTWGCJCLBZYLSZ-HNNXBMFYSA-N	362.430	-0.349	10	20	FBCD	
O=C(c1c(F)ccc(O)c1O)N1CC(S(=O)(=O)N2CCNCC2)C1	1580809070	SOEJNBOMOOZANY-UHFFFAOYSA-N	359.379	-0.704	10	20	FBCD	
Cc1ccc(C(=O)N2C[C@@H](N3C(=O)CNC3=O)C[C@H]2C(=O)O)c(O)c1O	1600335082	VZNVAIMPDMDFQS-WPRPVWTQSA-N	363.326	-0.374	10	20	FBCD	
COC(=O)CN(CC(=O)N1CCNC(=O)C1)Cc1cc(Cl)ccc1O	264589529	GCZZPLYKCJSPKL-UHFFFAOYSA-N	369.805	-0.021	10	20	FBCD	
CCS(=O)(=O)NCCS(=O)(=O)NCc1cccc(OC)c1O	269757297	BPWSWDWQLMKYPB-UHFFFAOYSA-N	352.434	-0.241	10	20	FBCD	
C[C@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)NCc1ccc(N(C)C)cc1	298349889	SSAWMZKWFYPGAT-NSHDSACASA-N	354.432	-0.224	10	20	FBCD	
CNS(=O)(=O)Nc1ccc(NS(=O)(=O)N2CCCOCC2)cc1	844663139	UFRWBNCYXSTQJD-UHFFFAOYSA-N	364.449	-0.058	10	20	FBCD	
NCC(F)(F)CNC(=O)C(=O)C(=O)C(=O)NC[C@H]1C[C@H]2C=C[C@H]1CC2	1325719667	ZZXYKEBTEBMYJF-GARJFASQSA-N	357.357	-0.447	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)Cn3cc(CCN)nn3)CC2)cc1	881419034	KPINGBYHBKVMBC-QGZVFWFLSA-N	360.462	-0.029	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN3C(=O)NC[C@@H]3C2)c1	1322418301	MIXPMGLCFPVTCW-SNVBAGLBSA-N	354.388	-0.387	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NCCCN(C)S(C)(=O)=O)cc1	1327780875	YKZQIPJJAARVFO-UHFFFAOYSA-N	370.475	-0.234	10	20	FBCD	
CN(C)C(=O)CNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	1334573580	KJAIVAMUDBSILG-HNNXBMFYSA-N	363.462	-0.324	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N3C[C@@H]4C[C@H]3CN4)cc2)CC1	885210173	LFLMNPUTZGIVJV-RDJZCZTQSA-N	357.458	-0.373	10	20	FBCD	
COC(=O)C[C@H](N)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	827469270	SPBAHESCSDMSTQ-ZFWWWQNUSA-N	362.430	-0.105	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)NCC(=O)N3CCNCC3)cc2)CC1	891971314	SWZGYHBWUBOJCJ-UHFFFAOYSA-N	374.489	-0.331	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNCCn3ncnn3)CC2)cc1	1338491038	CYJLNAXYUYRWPD-INIZCTEOSA-N	361.450	-0.546	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)N2CCOCC2)c1	138515288	MSWIHLKJLSOSNH-UHFFFAOYSA-N	358.372	-0.221	10	20	FBCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)N1CCCNC(=O)C1	1329739405	RJTASNWQVGYFTM-UHFFFAOYSA-N	374.441	-0.170	10	20	FBCD	
CCOCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2	1795210355	APXJRTNQMDAYAT-DRXBFXEBSA-N	365.386	-0.268	10	20	FBCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CN1C(=O)C(=O)N(C)C1=O	282474544	MSVBZLWZUBRIQO-UHFFFAOYSA-N	374.397	-0.098	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(COC(=O)C3(n4cnnn4)CC3)nc12	849994461	DLKBEAGBQXLMIC-UHFFFAOYSA-N	373.329	-0.169	10	20	FBCD	
CCON(C)C(=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1118459377	BJQVCXXNVACPLR-UHFFFAOYSA-N	369.443	-0.053	10	20	FBCD	
C[C@H](NC=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2	1800092275	YEUSNFYFHJQUQV-SYEHKZFSSA-N	362.386	-0.121	10	20	FBCD	
O=C1CN(C(=O)C(=O)NCc2ccc(N3CCSCC3)cc2)CCN1	789855128	KIGBEQIHVSCABD-UHFFFAOYSA-N	362.455	-0.186	10	20	FBCD	
CO[C@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1	1796140373	NAIPMURBZGMODR-ADGXKJENSA-N	365.386	-0.269	10	20	FBCD	
Cn1ncnc1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2	1842342015	LXHNGDPIZRLSRW-UHFFFAOYSA-N	358.358	-0.248	10	20	FBCD	
CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cc(O)cs3)CC2)CC1	1543693936	HTCOZMKNUGGUKP-UHFFFAOYSA-N	374.488	-0.296	10	20	FBCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	1325022794	HSDCFWKRINAGMG-RYUDHWBXSA-N	368.411	-0.250	10	20	FBCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1	265205708	CDEFYKNOPMFQDJ-ZIAGYGMSSA-N	371.415	-0.112	10	20	FBCD	
COc1ccc(N2CCN(C(=O)Cn3nc(C(N)=O)ccc3=O)CC2)cc1	1318319133	TUUTZPQTYAEMLF-UHFFFAOYSA-N	371.397	-0.300	10	20	FBCD	
COC(=O)[C@H](CO)NC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843066036	RIROHLZCGJGDEH-RDJZCZTQSA-N	367.446	-0.698	10	20	FBCD	
CN(C)c1ccc([C@H](N)CNC(=O)CN2CCS(=O)(=O)CC2)cc1	844162533	HNFQIPDARMLMSY-OAHLLOKOSA-N	354.476	-0.401	10	20	FBCD	
CCNC(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1221128953	YKHQUKYMHMWPHT-OLZOCXBDSA-N	362.390	-0.240	10	20	FBCD	
Nc1ccc(CNC(=O)N2CCN(C(=O)CN3CCOCC3)CC2)cc1	1335731717	UTNLOXSQDBXUGO-UHFFFAOYSA-N	361.446	-0.045	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[C@H]3C(=O)O)cc2)CC1	1598622306	BAZUMJDXFWEJRF-GDBMZVCRSA-N	374.441	-0.109	10	20	FBCD	
CN(CCNS(C)(=O)=O)C(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	1327968000	KBPMFGIHGOPRPZ-UHFFFAOYSA-N	374.438	-0.485	10	20	FBCD	
C[C@@H](NC=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1	1796604480	LDPDMYXUIZHPTC-FOUMNBMASA-N	362.386	-0.121	10	20	FBCD	
COC(=O)C[C@H](N)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	829500915	SYDSCMIHVPQZON-INIZCTEOSA-N	364.446	-0.176	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN(C)[C@@H]3COC[C@H]3O)CC2)cc1	886515394	BLQYJRULEIRMNS-BHIYHBOVSA-N	365.474	-0.130	10	20	FBCD	
NS(=O)(=O)CCNC(=O)NCc1ccc(N2CCOCC2)c(F)c1	298999395	SUFFORGYFKVDDE-UHFFFAOYSA-N	360.411	-0.250	10	20	FBCD	
COc1cccc(CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1O	68488742	SMBKULOPKWLHEV-UHFFFAOYSA-N	373.369	-0.536	10	20	FBCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	816826157	YGVUMLPRXBQFLN-KZNAEPCWSA-N	362.426	-0.106	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3CCNC(=O)[C@@H]3C)C2)cc1	824973844	NAZMQFUWIZCGEI-UONOGXRCSA-N	374.441	-0.015	10	20	FBCD	
NC(=O)[C@@H]1C[C@@H]1C(=O)NCCC1=CCN(c2nccn3nnnc23)CC1	1089866747	RGHJZOONLIJPGZ-NEPJUHHUSA-N	356.390	-0.717	10	20	FBCD	
CN1C(=O)[C@@H]2CN(C(=O)C(=O)NCc3ccc(N(C)C)cc3)C[C@@H]2C1=O	1261918965	RYNVHCBLKRGVDA-OKILXGFUSA-N	358.398	-0.558	10	20	FBCD	
CN[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1	885209897	FDHOEMGVWDNWQP-INIZCTEOSA-N	359.474	-0.125	10	20	FBCD	
CNS(=O)(=O)CCCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	1119212752	XBFMGMVASIEZBN-UHFFFAOYSA-N	370.475	-0.234	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)N[C@@H]3CCS(=O)(=O)C3)ccc21	1337881718	YKYAIRQKYGDOGL-CQSZACIVSA-N	365.455	-0.012	10	20	FBCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1	272293196	HLAMCKQTDICNSG-CQSZACIVSA-N	363.414	-0.105	10	20	FBCD	
O=C(N[C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1c(F)ccc(O)c1O	276549739	KEGDITNHCFKTEI-LLVKDONJSA-N	367.377	-0.100	10	20	FBCD	
CNC(=O)C1CN(C[C@@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1	767359600	GOVNLVAANYZSGP-KRWDZBQOSA-N	362.474	-0.144	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CCC(OCC(N)=O)CC2)cc1	1116996406	ITXNLLRUHMAAFZ-UHFFFAOYSA-N	362.430	-0.138	10	20	FBCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1C[C@@H](O)C[C@H](C(=O)O)C1	1608468204	WDEJGVYCHKFMOG-HOCLYGCPSA-N	373.409	-0.027	10	20	FBCD	
COCCN1C(=O)/C(=C\NNc2nc(C)cc(OC)n2)C(=O)NC1=S	267014378	FJGYULAWRVNZPL-CLFYSBASSA-N	366.403	-0.516	10	20	FBCD	
COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1	1326842884	ARLRRGFFGNMMPA-DZGCQCFKSA-N	363.414	-0.249	10	20	FBCD	
CCNc1nc(NCC)n2c(SCC(=O)NCCCO)nnc2n1	298767248	BWFHJXKNMNCBNB-UHFFFAOYSA-N	354.440	-0.026	10	20	FBCD	
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCn2cncn2)N(C)C)cc1	1335496270	QSKMFXVYDOQQRP-MRXNPFEDSA-N	373.461	-0.121	10	20	FBCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@H](C)C(N)=O)CC2)cc1	778222131	ONUDTGJMHUBSEV-MEJMFZKBSA-N	360.414	-0.110	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNCC(=O)N(C)OC)CC2)cc1	819373839	KWZVXIVOKUUZIA-MRXNPFEDSA-N	366.462	-0.213	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)CNS(=O)(=O)N(C)C)cc2)CC1	918852583	RSPGDHMAAGBHKB-UHFFFAOYSA-N	369.491	-0.549	10	20	FBCD	
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O	1347665612	VSWOHVBVDFYNLG-DGCLKSJQSA-N	356.400	-0.721	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)CNS(=O)(=O)N(C)C)cc1	855021053	YNYBZOTWHYDUCO-UHFFFAOYSA-N	358.464	-0.014	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNC[C@H](O)CN(C)C)CC2)cc1	843061894	KPSVFDAFGCGJGY-ZWKOTPCHSA-N	366.506	-0.310	10	20	FBCD	
COc1cccc(CNC(=O)CNS(=O)(=O)c2cn(C)cn2)c1O	269216558	YKSYQOYCQWZXOQ-UHFFFAOYSA-N	354.388	-0.271	10	20	FBCD	
COc1ccc(N2CCN(C(=O)COC(=O)C(C)(CO)CO)CC2)cc1	759840977	SWKCEYFMQISACJ-UHFFFAOYSA-N	366.414	-0.122	10	20	FBCD	
NC(=O)N[C@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1	1323083750	MVZNCUZXNDUKEM-AWEZNQCLSA-N	357.414	-0.052	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H](CO)CN(C)C)CC2)cc1	843117579	QPSHTMGHIAWZSR-SJLPKXTDSA-N	366.506	-0.310	10	20	FBCD	
CN[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C1	885209898	FDHOEMGVWDNWQP-MRXNPFEDSA-N	359.474	-0.125	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3CCNC(=O)C3)CC2)cc1F	900996427	ADMMYHGSEKSMFV-UHFFFAOYSA-N	350.394	-0.085	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)c1	268458048	ZJWZQZGEHABODW-CABZTGNLSA-N	357.388	-0.474	10	20	FBCD	
C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	898326070	JLWFJEJYSJQNTA-CQSZACIVSA-N	373.457	-0.599	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCN(C)C3=O)cc2)CC1	1332908217	FMCXDGXLNZIFAM-INIZCTEOSA-N	373.457	-0.599	10	20	FBCD	
CC(=O)NCC(=O)NCCC1=CCN(c2cncc(-c3nn[nH]n3)n2)CC1	1588846114	CDQLSZFFRVXBTO-UHFFFAOYSA-N	371.405	-0.564	10	20	FBCD	
O=C1COc2cc([N+](=O)[O-])c(N3CCN4C(=O)C(=O)NC[C@H]4C3)cc2N1	359864221	AXYNGRWCHKZMLR-QMMMGPOBSA-N	361.314	-0.927	10	20	FBCD	
NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NCCCSc2nccs2)O1	1323483500	YVHISSKJJPTPOA-UWVGGRQHSA-N	372.472	-0.109	10	20	FBCD	
O=C(NCCC1=CCN(c2ccc(-c3nn[nH]n3)nn2)CC1)c1cnn[nH]1	1582495963	VAYCMHSDNRYBBL-UHFFFAOYSA-N	367.377	-0.269	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@@H](O)C[C@H]3C(=O)OC)nc12	276649864	RTISGWQLLIXCEW-JQWIXIFHSA-N	364.358	-0.280	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(CC(N)=O)CC2)c1	729526483	DFOZZSIKHJKBEV-UHFFFAOYSA-N	356.404	-0.993	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN3CCOC[C@H]3CO)CC2)cc1	769902665	CTERECRFUNOLJD-QZTJIDSGSA-N	365.474	-0.129	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@H](CO)CN(C)C)CC2)cc1	843117580	QPSHTMGHIAWZSR-WMZOPIPTSA-N	366.506	-0.310	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNC[C@H](O)CN(C)C)CC2)cc1	843061893	KPSVFDAFGCGJGY-ROUUACIJSA-N	366.506	-0.310	10	20	FBCD	
CC(=O)NCCC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843250896	AKZJRTSYAAQFRS-UHFFFAOYSA-N	362.386	-0.164	10	20	FBCD	
CNC(=O)[C@@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1078253703	NRHJEXFKRKZVDE-OASPWFOLSA-N	362.390	-0.242	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N[C@H]3CC(=O)N(C)C3)C2)cc1	1332024627	DCLHRMZQAHXCFH-KGLIPLIRSA-N	374.441	-0.015	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)cc1F	1606054122	NSJBOGMRGDIYQI-NEPJUHHUSA-N	367.377	-0.198	10	20	FBCD	
O=C1C[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CCN1	1846421801	IJQDKNQGFRKDJA-LLVKDONJSA-N	374.397	-0.164	10	20	FBCD	
CN1CCNC[C@@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1521859639	ZUEHVCDTAOWGSK-MRXNPFEDSA-N	366.487	-0.559	10	20	FBCD	
CNS(=O)(=O)CC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	751584956	FPNZDUOHWJBACA-UHFFFAOYSA-N	359.423	-0.048	10	20	FBCD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)COCCO)c1cc(O)nc(O)c1	1800148161	IFONGWOKLIBVBJ-CLLJXQQHSA-N	365.386	-0.247	10	20	FBCD	
COCCN1C(=O)/C(=C\NCCCOC[C@H]2CCCO2)C(=O)NC1=S	52536806	XDRFTUAJMRHZFS-YGYTWAPGSA-N	371.459	-0.065	10	20	FBCD	
COc1ccc(O)c(CNc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)c1	737107020	YLQALAXBSCBKQQ-UHFFFAOYSA-N	359.346	-0.410	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C[C@H](NC(C)=O)C(N)=O)CC2)cc1F	753741486	GXOIIHLUEBSPKF-AWEZNQCLSA-N	366.393	-0.137	10	20	FBCD	
C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	283950538	HUERZZZSRZKVPY-ZDUSSCGKSA-N	360.414	-0.514	10	20	FBCD	
Nc1ccc(CCNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1	832653269	WJBOUKZQRFMDCQ-ZFWWWQNUSA-N	365.455	-0.037	10	20	FBCD	
C[C@@H]1CNCCN1C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1	843057967	JCGUBLLUNRQCMY-TZMCWYRMSA-N	358.398	-0.644	10	20	FBCD	
COC[C@@H](O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1221128520	QHYKXUQNDZUOGA-MJBXVCDLSA-N	365.390	-0.369	10	20	FBCD	
O=C(NCCn1cncn1)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	1327925012	ZJBOASNWSBKLKI-UHFFFAOYSA-N	372.429	-0.328	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N[C@@H]3CC(=O)N(C)C3)C2)cc1	1332024628	DCLHRMZQAHXCFH-UONOGXRCSA-N	374.441	-0.015	10	20	FBCD	
CCC(=O)C(=O)N1CC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2	1783088242	BTPPAJTWAXHJTR-QGZVFWFLSA-N	363.370	-0.085	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@](C)(CO)C(=O)OC)nc12	852159542	NQGMFJGRCYHJHL-OAHLLOKOSA-N	352.347	-0.375	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@H](C(=O)O)C2)cc1F	817106291	GDUDNJSZLUTTGM-ZDUSSCGKSA-N	353.350	-0.180	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N1CCNCC1	842216127	HTAZCTAEZSJQLQ-UHFFFAOYSA-N	350.394	-0.290	10	20	FBCD	
CN(C)C(=O)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	1117031740	IGUWLBYDZIYLKZ-UHFFFAOYSA-N	362.430	-0.266	10	20	FBCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)N[C@@H]1CCS(=O)(=O)C1	1321060690	FYIIEFYVKZMDPS-JRBALWBOSA-N	355.368	-0.043	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N(CCO)CCOCCO)c1	1330091070	IAPLHZZTIGNWBH-UHFFFAOYSA-N	362.404	-0.793	10	20	FBCD	
O=C1CN(C(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)CCN1	297773822	HJEYDGVUKRNPFD-CQSZACIVSA-N	361.398	-0.142	10	20	FBCD	
O=C(NCCC1=CCN(c2nccnc2-c2nn[nH]n2)CC1)c1nc[nH]n1	1606760213	BBCBHGFDPWKTEM-UHFFFAOYSA-N	367.377	-0.269	10	20	FBCD	
CCS(=O)(=O)NCCOC(=O)c1cc(NS(C)(=O)=O)ccc1O	731715853	PKPTYWDLFPVUSN-UHFFFAOYSA-N	366.417	-0.140	10	20	FBCD	
C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	283950532	HUERZZZSRZKVPY-CYBMUJFWSA-N	360.414	-0.514	10	20	FBCD	
O=C(NCCCSc1nccs1)C(=O)NCCN1C(=O)CNC1=O	1322748804	OKKYRZBNDSBRHT-UHFFFAOYSA-N	371.444	-0.591	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCN4C(=O)NC[C@@H]4C3)nc12	267862129	YJFNRMYGOQNOCR-LLVKDONJSA-N	360.374	-0.179	10	20	FBCD	
CCNc1nc(NCC)n2c(SCC(=O)NCC(=O)NC)nnc2n1	299526199	XTTORUJDUULBME-UHFFFAOYSA-N	367.439	-0.663	10	20	FBCD	
COc1ccc(O)c(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1	734015454	LGGRWGTZTVLACS-UHFFFAOYSA-N	373.369	-0.536	10	20	FBCD	
NC(=O)[C@@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CCO1	806280049	ILOCQZUPFWXBEW-VIFPVBQESA-N	358.445	-0.546	10	20	FBCD	
COc1ccc(N2CCN(C(=O)Cn3ncn(C)c3=O)CC2)c(OC)c1	870165135	PDNXHKFTHAHQIP-UHFFFAOYSA-N	361.402	-0.052	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3CCNCC3=O)CC2)c(OC)c1	877227906	QFKSOHGXDYAHCF-UHFFFAOYSA-N	362.430	-0.216	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@@H](C)O[C@@H](C(N)=O)C3)nc12	268487808	UHKFAGZAMJGPEU-BXKDBHETSA-N	363.374	-0.314	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)N3C[C@H]4C(=O)NC(=O)[C@H]4C3)cc2)CC1	889662460	DSQLBSMLGRHVHW-IYBDPMFKSA-N	371.441	-0.148	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NCCOCCS(C)(=O)=O)cc1	1327320957	XXVYEFLHKFUXBK-UHFFFAOYSA-N	371.459	-0.454	10	20	FBCD	
C[C@H](CN)NC(=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1327516716	VMDDTDAKNGVPQJ-GFCCVEGCSA-N	368.459	-0.999	10	20	FBCD	
CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc(OCC(=O)O)cc1	1610109093	UIUBLRRFWRGQRT-LLVKDONJSA-N	356.400	-0.111	10	20	FBCD	
CN1C(=O)CC[C@@H](NC(=O)C(=O)NCc2ccc3c(c2)CCCN3C)C1=O	1326701235	JFPSPMKFCUKSLL-CQSZACIVSA-N	372.425	-0.051	10	20	FBCD	
O=C(CCn1cc(-c2nn[nH]n2)c(O)nc1=O)N1Cc2cccc(O)c2C1	1592858029	OETFIQSANWOODT-UHFFFAOYSA-N	369.341	-0.233	10	20	FBCD	
O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)Cn2ccnn2)C1	1843101817	UZCVSURMOSDDHH-UHFFFAOYSA-N	358.358	-0.399	10	20	FBCD	
O=C1CCCN1CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843249630	GNYQIYLPKIYAFA-UHFFFAOYSA-N	374.397	-0.068	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N(C)[C@@H]3CCNC3=O)C2)cc1	1349036228	HLUPGFHXOFMTPA-CZUORRHYSA-N	374.441	-0.015	10	20	FBCD	
CS(=O)(=O)CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2	1842778813	QKLVHDVGACKGJQ-UHFFFAOYSA-N	369.399	-0.646	10	20	FBCD	
NC(=O)CS(=O)(=O)NC(=O)c1ccc(NC(=O)C2=S=CC=C2)cc1	766924014	UFQLWBWYRQSAFQ-UHFFFAOYSA-N	367.408	-0.552	10	20	FBCD	
O=C(NCCn1cncn1)C(=O)NCc1ccc(N2CCOCC2)cc1	1326444023	VJFXMPSIFPFQJS-UHFFFAOYSA-N	358.402	-0.453	10	20	FBCD	
O=C1CN(c2nnnn2Cc2ccc(N3CCOCC3)cc2)CCCN1	1335320952	YOQUGWXPPXIGAN-UHFFFAOYSA-N	357.418	-0.116	10	20	FBCD	
O=C1NC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)O1	1841648828	YPJMHUWKGKCASQ-JTQLQIEISA-N	362.342	-0.582	10	20	FBCD	
C[C@H]1CS(=O)(=O)C[C@H]1NC(=O)c1cc(NS(C)(=O)=O)ccc1O	290645680	NBFSWXBIQXMCCQ-GZMMTYOYSA-N	362.429	-0.073	10	20	FBCD	
Nc1ccc(CCNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1	832653265	WJBOUKZQRFMDCQ-HIFRSBDPSA-N	365.455	-0.037	10	20	FBCD	
CN(C)c1ccc(CNC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1	298569678	CWZSNPWCFBWAFS-UHFFFAOYSA-N	372.433	-0.207	10	20	FBCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)NCCC(N)=O)CC2)cc1	778288021	CXDYKRFWNLPGPT-SREVYHEPSA-N	360.414	-0.108	10	20	FBCD	
CC(=O)C(=O)COC(=O)CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1	808509475	RLSFZWDAPFALEK-UHFFFAOYSA-N	358.328	-0.036	10	20	FBCD	
C[C@]1(C(N)=O)CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1	284095318	PICAEHLBCVFQNM-IBGZPJMESA-N	374.441	-0.137	10	20	FBCD	
COc1cccc(O)c1CN1CCN(C(=O)C(=O)N2CCOCC2)CC1	768213961	CPXADTJZKJSHRW-UHFFFAOYSA-N	363.414	-0.096	10	20	FBCD	
COc1ccc(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)c(O)c1	794379922	ZUYPZICBBZEZTD-UHFFFAOYSA-N	354.388	-0.049	10	20	FBCD	
COc1cccc(CNC(=O)NCCS(=O)(=O)N2CCOCC2)c1O	745789358	JFDLKBYYUFKZHH-UHFFFAOYSA-N	373.431	-0.138	10	20	FBCD	
C[C@@H](NC(=O)C(=O)N1CCNC(=O)C1)c1ccc(N2CCOCC2)cc1	803299285	IWPNMCGEPSVFJD-CYBMUJFWSA-N	360.414	-0.341	10	20	FBCD	
O=C(NCCCSc1nccs1)C(=O)NCC(=O)N1CCNCC1	842092265	KRKGMQWXXSZOAO-UHFFFAOYSA-N	371.488	-0.711	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCc1nc(O)cc(CN)n1	851684826	LQROQAWASTVJLX-UHFFFAOYSA-N	372.429	-0.052	10	20	FBCD	
CCOC(=O)[C@H](N)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	852860976	NNCAIGXGXDCDQB-DZGCQCFKSA-N	362.430	-0.105	10	20	FBCD	
COc1cc(C(=O)N[C@H]2C[C@@H](NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc(OC)n1	974323791	OZYZLJKWFSOUJH-KXNHARMFSA-N	362.386	-0.403	10	20	FBCD	
C[C@@H](O)C(=O)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	270837335	FGEIFLIPKDJVGS-SNVBAGLBSA-N	371.415	-0.571	10	20	FBCD	
CN1C(=O)C(=CNc2ccc(C(=O)NCC(=O)O)cc2)C(=O)N(C)C1=O	737506777	YVKTXEUIIVJFEA-UHFFFAOYSA-N	360.326	-0.153	10	20	FBCD	
COC[C@@H](CO)NC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843079747	AWAZUQMRQRJNSK-WBVHZDCISA-N	353.463	-0.225	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN(C)CCNS(C)(=O)=O)nc12	1319329363	YOPKZYPWRMHCPT-UHFFFAOYSA-N	371.419	-0.407	10	20	FBCD	
COc1ccc(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)c(O)c1	794376708	ARLKIDKEXGYIDL-UHFFFAOYSA-N	357.432	-0.406	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@@H](CO)CN2CCCC2)c1	816626055	TWGOYDLJYHBSFP-GFCCVEGCSA-N	357.432	-0.050	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCCS(N)(=O)=O)c1	744854301	HXGFBQLZUXQPCR-UHFFFAOYSA-N	352.390	-0.401	10	20	FBCD	
CNC(=O)CC(=N)NOCC(=O)N1CCN(c2ccc(OC)cc2)CC1	748778588	RUBYXVJDWSBUEP-UHFFFAOYSA-N	363.418	-0.022	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N=c3nc[nH]n3C)C2)cc1	1326220325	UMRYXHZPLSANSN-LBPRGKRZSA-N	358.402	-0.173	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNC[C@H]3CNC(=O)C3)CC2)cc1	819365911	DUXAYNSWTLIOBL-DOTOQJQBSA-N	362.474	-0.096	10	20	FBCD	
C[C@H]1CN[C@H](C)CN1C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1	843058208	OTKXORPQLLYLNN-IPYPFGDCSA-N	372.425	-0.256	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN3CCO[C@@H](CN)C3)CC2)cc1	923332422	IXUNPCVBPLNERM-MJGOQNOKSA-N	364.490	-0.162	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3[C@@H](CO)CC[C@@H]3CO)nc12	287219317	FICOBAPLPRMDQX-VXGBXAGGSA-N	350.375	-0.071	10	20	FBCD	
COc1ccc(CNC(=O)NCCS(=O)(=O)N2CCOCC2)c(O)c1	792879683	NZCHOJMWIVMXEX-UHFFFAOYSA-N	373.431	-0.138	10	20	FBCD	
COCCN1C(=O)/C(=C\N2C(=O)c3cccc(N)c3C2=O)C(=O)NC1=S	920978501	FUINGYPKNGNOND-CLFYSBASSA-N	374.378	-0.362	10	20	FBCD	
CNS(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	1328340180	VCCHPMAIRVDULG-CYBMUJFWSA-N	369.443	-0.109	10	20	FBCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1C[C@@H](O)C[C@@H](C(=O)O)C1	1608468206	WDEJGVYCHKFMOG-ZBFHGGJFSA-N	373.409	-0.027	10	20	FBCD	
CN1CCN(C)[C@@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	264948219	SVPVKFFNWDZLBW-LBPRGKRZSA-N	356.448	-0.261	10	20	FBCD	
CC[C@@H](NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(N)=O	820986132	KZVMEUSOPLQEJH-CQSZACIVSA-N	368.459	-0.016	10	20	FBCD	
CNCCNC(=O)C(=O)N1CCN(c2ccc(OC)cc2OC)CC1	884686742	VEIXFIYDPWPXOX-UHFFFAOYSA-N	350.419	-0.312	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3CCNC(=O)[C@H]3C)C2)cc1	824973846	NAZMQFUWIZCGEI-ZIAGYGMSSA-N	374.441	-0.015	10	20	FBCD	
CN(C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCNC1=O	1328300190	XFNKQJKVONMEMZ-MRXNPFEDSA-N	374.441	-0.389	10	20	FBCD	
CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)Cc1ccccc1O	1347665611	VSWOHVBVDFYNLG-AAEUAGOBSA-N	356.400	-0.721	10	20	FBCD	
COc1ccc(CNC(=O)CNS(=O)(=O)c2cn(C)cn2)c(O)c1	794378244	QTMWMQLWNOQKQD-UHFFFAOYSA-N	354.388	-0.271	10	20	FBCD	
CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1	807677410	OLGARIPKZQSWLM-SWLSCSKDSA-N	362.430	-0.097	10	20	FBCD	
CN(C)c1ccc([C@H](N)CNC(=O)CN(C)[C@@H]2CCS(=O)(=O)C2)cc1	832299540	CMGDGEKGXMIQQN-HZPDHXFCSA-N	368.503	-0.013	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3COC[C@H]3O)CC2)cc1	843116735	LTJTZPOBCBQEQH-KBAYOESNSA-N	351.447	-0.473	10	20	FBCD	
Cn1cc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)c(=O)n(C)c1=O	856211605	WXHILJHHBQTBOW-UHFFFAOYSA-N	372.425	-0.025	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1	1325070717	AITGCKPLXYKBOD-HNNXBMFYSA-N	359.430	-0.053	10	20	FBCD	
O=C1CC(C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)=NN1	1796600671	BXRRPRILAOUCMQ-JGPRNRPPSA-N	373.369	-0.380	10	20	FBCD	
O=C(N[C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc(O)c1O	280656102	OCQXAUDHRJDWRP-NWDGAFQWSA-N	356.400	-0.675	10	20	FBCD	
CCOCCS(=O)(=O)NCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832286375	YUUMWFOSOAKHPT-HNNXBMFYSA-N	372.491	-0.176	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NCCCN2CCNCC2)cc1F	842226450	QQGJFRWUWNDCSC-UHFFFAOYSA-N	365.453	-0.081	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H](O)Cn2ccnn2)c1	857536260	NQBZFTYSHVEADS-JTQLQIEISA-N	355.376	-0.854	10	20	FBCD	
CCNC(=O)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	851920686	DGDYARRULARISN-UHFFFAOYSA-N	368.459	-0.143	10	20	FBCD	
O=C1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CN1	1843248718	HIBMKSKIVMPZCP-LLVKDONJSA-N	374.397	-0.164	10	20	FBCD	
COc1ccc(N2CCN(CCNC(=O)c3cn(CCN)nn3)CC2)cc1	852805633	GZSMKTRKMPIQEH-UHFFFAOYSA-N	373.461	-0.203	10	20	FBCD	
Nc1ccc(CCNC(=O)C(=O)N2C[C@H]3COCC[C@@]3(C(=O)O)C2)cc1	1608272292	CTSMTOFAUXQVJK-SCLBCKFNSA-N	361.398	-0.123	10	20	FBCD	
Cn1cc(S(=O)(=O)Nc2ccc(O)c(C(=O)O)c2)c(=O)n(C)c1=O	323848047	BMKFWTKZVWXRLX-UHFFFAOYSA-N	355.328	-0.711	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNCCNC(C)=O)CC2)cc1	758183659	BZVFUEOLXNMQKL-QGZVFWFLSA-N	350.463	-0.096	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@H](CO)[C@@H](O)C3)nc12	787997584	USBHEXUMXRKOBN-GWCFXTLKSA-N	350.375	-0.213	10	20	FBCD	
C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	830628683	UTFSBBMDKFDSOC-ZDUSSCGKSA-N	374.441	-0.389	10	20	FBCD	
CN(CC(C)(C)CN)C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1	843058167	NBFIUIVGOKQGNA-AWEZNQCLSA-N	374.441	-0.021	10	20	FBCD	
NC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)cn1	1318722714	ULKPJOMLJQXXKI-UHFFFAOYSA-N	368.397	-0.001	10	20	FBCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)Cn1cnc(C(N)=O)n1	846267534	UFAQJSUJAZDQAA-UHFFFAOYSA-N	361.358	-0.326	10	20	FBCD	
Cn1cnc(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)n1	1843249209	JNECRVGQENNQLB-UHFFFAOYSA-N	358.358	-0.248	10	20	FBCD	
NCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)c(O)c(Cl)c1	1799770767	DZHDLHJCMBDCTC-WDAIWFPHSA-N	369.805	-0.087	10	20	FBCD	
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCO)CC2)cc1	902953361	UZLBKKLWYABEAX-UHFFFAOYSA-N	371.459	-0.354	10	20	FBCD	
O=C(CC1(O)CNC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1580515432	OSIJMJCPOPFONN-UHFFFAOYSA-N	353.444	-0.738	10	20	FBCD	
C[C@@H]1C(=O)N(C)CCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	1345065414	JFTBRRPOCDSZOA-CQSZACIVSA-N	374.441	-0.172	10	20	FBCD	
C[C@H](NC(=O)C(=O)N(C)CCNS(C)(=O)=O)c1ccc(N(C)C)cc1	1342711457	CHDXEFWNDHLYFR-LBPRGKRZSA-N	370.475	-0.063	10	20	FBCD	
CNS(=O)(=O)CC(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	787326585	ILLQHIRHTAEPPB-UHFFFAOYSA-N	368.459	-0.480	10	20	FBCD	
COC(=O)COc1ccc(N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1	1320170000	BJYTXUZUUMNHHY-GFCCVEGCSA-N	370.427	-0.022	10	20	FBCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H](C)C(N)=O)CC2)cc1	778222133	ONUDTGJMHUBSEV-WSROAFLRSA-N	360.414	-0.110	10	20	FBCD	
C[C@@H]1CN(C)C(=O)CN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	788334069	WPCXDTYTJFHKJN-CQSZACIVSA-N	374.441	-0.172	10	20	FBCD	
Nc1ccc(CCNC(=O)N2CC(S(=O)(=O)N3CCNCC3)C2)cc1	841956191	YAVNTGVBLCTLAV-UHFFFAOYSA-N	367.475	-0.560	10	20	FBCD	
CC(=O)NCCNC(=O)CCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	843299614	YKOUNASMBDHRMF-INIZCTEOSA-N	363.462	-0.099	10	20	FBCD	
O=C(O)[C@H]1CN(c2nnnn2Cc2ccc(N3CCOCC3)cc2)CCO1	1601851546	WMRTXPGLSVLPQX-OAHLLOKOSA-N	374.401	-0.152	10	20	FBCD	
CN(CC(C)(C)CN)C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1	843058168	NBFIUIVGOKQGNA-CQSZACIVSA-N	374.441	-0.021	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cn1ncn(C)c1=O	779127660	NICLRDVEJLKCMM-UHFFFAOYSA-N	361.402	-0.150	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1F	1257536381	NWVCBFJYGLKCQR-BXUZGUMPSA-N	366.393	-0.343	10	20	FBCD	
CNS(=O)(=O)N1CCC(C(=O)NCCc2ccc(O)c(O)c2)CC1	1322074231	VQSTYDUUEKRSND-UHFFFAOYSA-N	357.432	-0.067	10	20	FBCD	
CNC(=O)[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)CCO1	297750102	GWCQCDZXMJLHJY-HNNXBMFYSA-N	362.430	-0.316	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	816891365	QOIINXZESORPEX-BRWVUGGUSA-N	366.389	-0.309	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CCS(=O)(=O)C2)c1	1324563203	FVKMOCCFTMUZEY-SECBINFHSA-N	362.429	-0.072	10	20	FBCD	
CCN1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O	283987639	JKEVJVFFWOVCNK-UHFFFAOYSA-N	374.441	-0.170	10	20	FBCD	
CN1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1=O	1350744278	HBSXJCODZOVABO-INIZCTEOSA-N	374.441	-0.389	10	20	FBCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cc(S(N)(=O)=O)cn1	798338525	VMDXBWYZMUCWPH-VIFPVBQESA-N	354.388	-0.311	10	20	FBCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)C1	822938273	QKGGTHNLJPZNTO-JSGCOSHPSA-N	373.413	-0.397	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(N3CC[C@@H](O)C3)C2)c1	843998327	VIVNHNBNNPBMMC-GFCCVEGCSA-N	355.416	-0.345	10	20	FBCD	
CNC(=O)CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	919812945	OSXYZSWLTPMCGM-UHFFFAOYSA-N	370.431	-0.733	10	20	FBCD	
O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)c2c[nH]c(=O)cn2)C1	1844762599	PCHIKHSVOBGJDM-UHFFFAOYSA-N	371.353	-0.293	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3CCN(C)C3=O)CC2)cc1	819089267	IYVMTVQLGOMBHR-FUHWJXTLSA-N	362.474	-0.002	10	20	FBCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)C1	822938274	QKGGTHNLJPZNTO-OCCSQVGLSA-N	373.413	-0.397	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(COC(=O)[C@@H]3COC(=O)N3)nc12	859910402	AVCUEWHKPFFJRW-VIFPVBQESA-N	350.287	-0.237	10	20	FBCD	
C[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2	1800749894	WEJTYUYKBVNWKO-GCDPNZCJSA-N	351.359	-0.923	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN3CCNC(=O)[C@H]3C)CC2)cc1	779224092	YGFNSAGJUPZAAO-WBVHZDCISA-N	362.474	-0.002	10	20	FBCD	
CC(=O)NCC(=O)NCC(=O)N(CC(=O)O)Cc1cc(Cl)ccc1O	833396477	KJFWSQMYYSHFHO-UHFFFAOYSA-N	371.777	-0.289	10	20	FBCD	
CCOc1ccc(N2CCN(C(=O)CNC(=O)CNC(C)=O)CC2)cc1	1116348113	NRBOBMVTAGSQAM-UHFFFAOYSA-N	362.430	-0.014	10	20	FBCD	
NC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1	1796603620	VQSXZXDWMJDQCT-JGPRNRPPSA-N	363.374	-0.587	10	20	FBCD	
CN(C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1)[C@@H]1CCNC1=O	1257109125	AXQHXCCPZHXPFW-OAHLLOKOSA-N	360.414	-0.514	10	20	FBCD	
CS(=O)(=O)NCCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	1321822473	SPHPDTALGODAHI-UHFFFAOYSA-N	368.459	-0.432	10	20	FBCD	
COC[C@@H](O)C(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	766140672	QLCJQYZXPVQMRV-OAHLLOKOSA-N	370.377	-0.171	10	20	FBCD	
CNS(=O)(=O)C1=CC(C(=O)Nc2nc(-c3ccncc3)n[nH]2)=S=C1	433088708	MNLDEIZYMRACFP-UHFFFAOYSA-N	364.412	-0.040	10	20	FBCD	
COC[C@H](O)CNC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843075847	AWWXCEBVHKCDIR-DLBZAZTESA-N	353.463	-0.225	10	20	FBCD	
C[C@@H](N)CNC(=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1328368452	SXXYMVICCGWCBZ-GFCCVEGCSA-N	368.459	-0.999	10	20	FBCD	
C[C@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)n1cnc(-c2nn[nH]n2)n1	1589027956	RRMRRFPVBXOSNF-SSDOTTSWSA-N	359.302	-0.144	10	20	FBCD	
O=C1CN(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CCN1	769441679	OZLJUBVNCJIVTD-UHFFFAOYSA-N	366.443	-0.437	10	20	FBCD	
COc1ccc(CNC(=O)c2nc(N)nc(N3CCOCC3)n2)c(O)c1	846060950	KMWLVRIGPADMDE-UHFFFAOYSA-N	360.374	-0.065	10	20	FBCD	
CCS(=O)(=O)NCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O	299109018	XIORWKFVRMVAOD-UHFFFAOYSA-N	365.433	-0.567	10	20	FBCD	
O=C1CC[C@@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)N1	1329380640	WBMRTLFQBHLUSX-AWEZNQCLSA-N	351.428	-0.184	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)NCCn2cncn2)cc1	1329789508	VEMIUGTUBXDPDF-UHFFFAOYSA-N	360.418	-0.002	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCO[C@H](C(=O)O)C3)nc12	737154701	IPEAHCRBPXCBHQ-NSHDSACASA-N	350.331	-0.103	10	20	FBCD	
NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2	1795973835	FSUJZIOHAFVPIG-ILWJIGKKSA-N	356.473	-0.556	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C3(S(N)(=O)=O)CC3)cc2)CC1	918846913	WAGQDYYEUOLRRN-UHFFFAOYSA-N	352.460	-0.124	10	20	FBCD	
CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCO1	283856126	DOIDIOCFLOGRBS-INIZCTEOSA-N	374.441	-0.124	10	20	FBCD	
C[C@H]1CN(C(=O)C(=O)C(=O)C(=O)N2CC[C@@H](c3cccnc3)C2)C[C@@H](C)N1	843058008	KVYCEEXYGYQFRD-VNHYZAJKSA-N	372.425	-0.256	10	20	FBCD	
C[C@H]1CC(=O)NCCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	788312081	CGYIDBBXOCKTGE-AWEZNQCLSA-N	374.441	-0.124	10	20	FBCD	
CS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	1321790728	CAUGJNZGBGMGAR-UHFFFAOYSA-N	369.443	-0.700	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCN1C(=O)CCC1=O	1323451615	GQZCYSOZNYTOIK-UHFFFAOYSA-N	360.414	-0.024	10	20	FBCD	
C[C@@H]1CN(C(=O)C(=O)C(=O)C(=O)N2CC[C@H](c3cccnc3)C2)[C@H](C)CN1	843058209	OTKXORPQLLYLNN-NFAWXSAZSA-N	372.425	-0.256	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNC[C@@H](O)CN(C)C)CC2)cc1	843061891	KPSVFDAFGCGJGY-MSOLQXFVSA-N	366.506	-0.310	10	20	FBCD	
CNC(=O)[C@H](C)N1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1078253704	NRHJEXFKRKZVDE-ZWKOPEQDSA-N	362.390	-0.242	10	20	FBCD	
CNC[C@@H]1CCCN1C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1	843058219	OWBJLGKKIPLEJV-CABCVRRESA-N	372.425	-0.254	10	20	FBCD	
NC(=O)c1cn(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)nn1	853678728	NBLWPXVSSJEXEQ-UHFFFAOYSA-N	362.365	-0.331	10	20	FBCD	
C[C@H]1CN(C(=O)C(=O)NCCc2ccc(N)cc2)CCN1S(C)(=O)=O	1117980135	DRHQXTJBBVBIOP-LBPRGKRZSA-N	368.459	-0.580	10	20	FBCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3nnc(O)nc3O)cc2)CC1	1321206341	AJXFTHCIDYNSPG-UHFFFAOYSA-N	372.385	-0.119	10	20	FBCD	
NS(=O)(=O)N1CCC(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1	782678147	ZHASDMGJMGHAPQ-UHFFFAOYSA-N	358.372	-0.261	10	20	FBCD	
CCS(=O)(=O)NCCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C	1326794742	YDZGACUNDRQHEA-UHFFFAOYSA-N	370.475	-0.267	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCNC(=O)[C@H]2CC(=O)O)c1	833738472	WUQMYYVAZODIEM-SNVBAGLBSA-N	371.371	-0.821	10	20	FBCD	
CNC[C@@H]1CCCN1C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1	843058220	OWBJLGKKIPLEJV-GJZGRUSLSA-N	372.425	-0.254	10	20	FBCD	
CCOCCS(=O)(=O)NCC(=O)OCC(=O)c1ccc(O)c(O)c1	784123745	VFRLIFJLCGJNFJ-UHFFFAOYSA-N	361.372	-0.220	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN3C[C@H](O)[C@@H](O)C3)CC2)cc1	859455414	HMZZSXJNYLVNAN-SZMVWBNQSA-N	351.447	-0.785	10	20	FBCD	
COc1ccc(O)c(CNC(=O)c2nc(N)nc(N3CCOCC3)n2)c1	845832534	DDURZVIDDILMKW-UHFFFAOYSA-N	360.374	-0.065	10	20	FBCD	
COc1ccc(-n2nnnc2CN2C[C@H](O)[C@H](NC(=O)C(F)F)C2)cc1	1083298923	ABNGSSSOBBZNGZ-NEPJUHHUSA-N	368.344	-0.403	10	20	FBCD	
CN(C)CC[C@@H](N)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1327930012	YAJJUVFMCIBVNN-MRXNPFEDSA-N	368.503	-0.183	10	20	FBCD	
CNC(=O)CNC(=O)/C=C/C(=O)N1CCN(c2ccc(OC)cc2)CC1	778220214	SHYHIIXDOXTGDF-BQYQJAHWSA-N	360.414	-0.238	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CNC3(C(N)=O)CCOCC3)nc12	852493587	QNVSKGBKUDWZGN-UHFFFAOYSA-N	363.374	-0.264	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3C[C@H](O)[C@H](O)C3)CC2)cc1	905464314	FTFVKPMLWFWZQW-SKWUIDRYSA-N	365.474	-0.348	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2CCC(O)CC2)c1	1118779599	KGJRCJSHTXRYNN-UHFFFAOYSA-N	357.432	-0.050	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN(C)[C@H]3CCNC3=O)CC2)cc1	754077036	ZANHASRJBPKUQW-WMZOPIPTSA-N	362.474	-0.002	10	20	FBCD	
O=C1C[C@@H](C(=O)NCc2ccc(N3CCOCC3)c(F)c2)NC(=O)N1	816891481	UMIGYSSLAKINKN-LBPRGKRZSA-N	350.350	-0.123	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cc[nH]n1	1793504064	RSDMNMDDBYQSCS-QHBPRCKVSA-N	373.369	-0.267	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCN2C(=O)CCC2=O)c1	265061207	WGWIFULPDQRJJH-UHFFFAOYSA-N	355.372	-0.358	10	20	FBCD	
Nc1nc(C(=O)NCCc2ccc(O)c(O)c2)nc(N2CCOCC2)n1	845832475	CWTKZXZLFCBOQS-UHFFFAOYSA-N	360.374	-0.326	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@](C)(CO)C(=O)OC)nc12	852159541	NQGMFJGRCYHJHL-HNNXBMFYSA-N	352.347	-0.375	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)N[C@@H](C)CN)CC2)c(OC)c1	884705337	QEQVWGGCBRSHCN-LBPRGKRZSA-N	350.419	-0.184	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N3CCCNC(=O)C3)C2)cc1	1330385637	YVLJGNPWAKFQRL-AWEZNQCLSA-N	374.441	-0.014	10	20	FBCD	
CC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)CN3C(=O)CSC3=S)C[C@@H]21	1786622303	YUTLOCAMOMCMAE-SRVKXCTJSA-N	371.484	-0.154	10	20	FBCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@H]1CCS(=O)(=O)N1	846267473	TXZDEYGJLYYJLP-GFCCVEGCSA-N	356.400	-0.024	10	20	FBCD	
CNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N2CCCC2)cc1	1342007783	OWJVPHAHIDIBCB-UHFFFAOYSA-N	368.459	-0.432	10	20	FBCD	
CC[C@H](O)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1	1847050548	BYGQEGXPZWCMHE-JTQLQIEISA-N	371.484	-0.179	10	20	FBCD	
O=C(N[C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cccc(O)c1O	280656106	OCQXAUDHRJDWRP-RYUDHWBXSA-N	356.400	-0.675	10	20	FBCD	
COc1ccc2c(c1)c1c(n2CC(=O)NC(C(N)=O)C(N)=O)CCCC1	649848500	SODUXFJFSYAHSF-UHFFFAOYSA-N	358.398	-0.016	10	20	FBCD	
Nc1ccc(CCNC(=O)NCCS(=O)(=O)N2CCOCC2)cc1	841771575	YQFZYUQAAISCIZ-UHFFFAOYSA-N	356.448	-0.228	10	20	FBCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1	1320031225	OFKNAINDJQTJKM-KMOQFTEPSA-N	368.411	-0.079	10	20	FBCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1	781974109	ZTKRAKJUJNHIPZ-IUCAKERBSA-N	359.404	-0.629	10	20	FBCD	
Cn1cc(/C=C\C(=O)N2C[C@H](C(=O)O)Oc3ccccc32)c(=O)n(C)c1=O	1600947907	XZSHUTVHXSRWSK-WBTMPAOCSA-N	371.349	-0.024	10	20	FBCD	
COC(=O)C1=NC2=NS(=O)(=O)c3ccccc3N2N1CC(=O)C(C)=O	367934840	KQTIHPKSDPUTFO-UHFFFAOYSA-N	364.339	-0.489	10	20	FBCD	
CN1C[C@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1=O	1323294847	KGQQVZYCUQOFEK-OAHLLOKOSA-N	374.441	-0.172	10	20	FBCD	
C[C@H](CS(C)(=O)=O)NC(=O)c1cc(NS(C)(=O)=O)ccc1O	264943785	ASJPJXWZEDPJDF-MRVPVSSYSA-N	350.418	-0.073	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@H]3C[C@H](O)[C@H](O)C3)CC2)cc1	905464312	FTFVKPMLWFWZQW-OYSPMZIOSA-N	365.474	-0.348	10	20	FBCD	
CCS(=O)(=O)NCCS(=O)(=O)Nc1ccc(O)c(C(=O)O)c1	776434637	HRFCYEKMLDTUHJ-UHFFFAOYSA-N	352.390	-0.229	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N2CCO[C@H](CN)C2)cc1	846363408	OBRKTLQHEFEIKO-MRXNPFEDSA-N	364.446	-0.224	10	20	FBCD	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCS(=O)(=O)N1	1328510015	XMUYZWMXGHMORX-OAHLLOKOSA-N	353.444	-0.044	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3CC[C@@](O)(C(=O)O)C3)CC2)cc1	1599585170	NWSYVPGANFHBQG-SFHVURJKSA-N	363.414	-0.135	10	20	FBCD	
O=C(/C=C/c1ccc(O)c(O)c1O)N1CC2(CCCN2C(=O)C(O)O)C1	1841237210	DEAUMRSESSOEEA-HWKANZROSA-N	364.354	-0.669	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N2CCNC(=O)[C@@H]2C)cc1	846250519	MZURUHRNEMZMPY-ZDUSSCGKSA-N	362.430	-0.063	10	20	FBCD	
COC(OC)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1	1847695563	OPZCTPHGADMSNS-QWRGUYRKSA-N	351.359	-0.073	10	20	FBCD	
CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCO1	283856129	DOIDIOCFLOGRBS-MRXNPFEDSA-N	374.441	-0.124	10	20	FBCD	
O=S1(=O)C[C@H](NCc2cc3c(cc2O)OCO3)[C@@H](N2CCOCC2)C1	265291172	ZJANJWOJBDZEQU-STQMWFEESA-N	370.427	-0.292	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1COCCN1	861761374	DRGBGALFAHPMKP-HNNXBMFYSA-N	362.430	-0.756	10	20	FBCD	
CNC(=O)C1CN(C[C@H](O)CN2CCN(c3ccc(OC)cc3)CC2)C1	767359601	GOVNLVAANYZSGP-QGZVFWFLSA-N	362.474	-0.144	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN3C[C@@H](O)[C@H](OC)C3)CC2)cc1	832007880	RBNZAQBHWSABKB-BHIYHBOVSA-N	365.474	-0.130	10	20	FBCD	
COc1ccc(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)c(O)c1	1591592937	JEAOXYPRWRVDNC-UHFFFAOYSA-N	359.350	-0.328	10	20	FBCD	
C[C@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843249009	NKZATOQQQNMKAY-SNVBAGLBSA-N	362.386	-0.179	10	20	FBCD	
NC(=O)CNC(=S)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1327268372	RSQPSYSDISEBGM-UHFFFAOYSA-N	356.473	-0.629	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN(C)[C@H]3CCNC3=O)CC2)cc1	754077025	ZANHASRJBPKUQW-AEFFLSMTSA-N	362.474	-0.002	10	20	FBCD	
COc1ccc(N2CCC(NC(=O)C(=O)NCc3nnn(C)n3)CC2)cc1	1345783781	XFVWMMCLWNFKGN-UHFFFAOYSA-N	373.417	-0.380	10	20	FBCD	
C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)S(C)(=O)=O	754508075	QELLSNMBRNHRSZ-QMMMGPOBSA-N	350.418	-0.073	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnoc1)C2)c1cc(O)nc(O)c1	1796137523	KPMAKAALVJZOJS-JJLQDPRZSA-N	374.353	-0.002	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCCN(S(C)(=O)=O)C1	1345453416	TYVHZSKVKLSOJY-ZDUSSCGKSA-N	369.443	-0.109	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)NC[C@H](O)Cn3ccnn3)cc2)CC1	889663071	MDHHTFQKEQMSGY-KRWDZBQOSA-N	373.461	-0.110	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H]3COC[C@@]3(C(=O)O)C2)c1	1574249326	VUQLRKCXTGZWLJ-VFZGTOFNSA-N	370.383	-0.063	10	20	FBCD	
C[C@@H]1CN(C(=O)C(=O)C(=O)C(=O)N2CC[C@H](c3cccnc3)C2)CCN1	843058362	PTRCJOJTOSRGSU-OCCSQVGLSA-N	358.398	-0.644	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)Nc1cnn(CC(N)=O)c1	734703978	URAUOJNDPPHZIG-UHFFFAOYSA-N	358.402	-0.002	10	20	FBCD	
CN(C)C(=O)CNC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	1334573581	KJAIVAMUDBSILG-OAHLLOKOSA-N	363.462	-0.324	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)NCC(=O)N3CCNCC3)ccc21	842150998	ZMHWXOODBQTNLC-UHFFFAOYSA-N	373.457	-0.767	10	20	FBCD	
CC(=O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1	1787292039	SPAONHTYJFTWNK-DRZSPHRISA-N	363.370	-0.325	10	20	FBCD	
CCNc1nc(NCC)n2c(SCC(=O)N[C@H](C)CO)nnc2n1	298788895	PGBZCCNQTLLDDX-MRVPVSSYSA-N	354.440	-0.028	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCCN3)cc2)CC1	884687729	GQRARLQOFQPKKN-MRXNPFEDSA-N	359.474	-0.077	10	20	FBCD	
Nc1ccc(CC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1	1328205066	KFFIDFCSYMEITQ-CABCVRRESA-N	353.444	-0.887	10	20	FBCD	
CN1CCNC[C@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1354646698	YVKBUKOXILVPCJ-KRWDZBQOSA-N	359.474	-0.092	10	20	FBCD	
N=C(N)SCC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2	1842863891	IIPGBOUXJSSWKO-UHFFFAOYSA-N	365.415	-0.064	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1F	285829620	YNZLLDOWCXSFDJ-ZDUSSCGKSA-N	352.366	-0.779	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCNC(=O)c2cc[nH]n2)c1	780800826	RKVIYDOQBNPLJY-UHFFFAOYSA-N	367.387	-0.353	10	20	FBCD	
Cc1nc(S(=O)(=O)NCC(=O)NCCc2ccc(N)cc2)cn1C	832652944	KPHLGBJVSVYVMQ-UHFFFAOYSA-N	351.432	-0.052	10	20	FBCD	
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCCON)N(C)C)cc1	911515952	JCGGWVHBDQCVME-HNNXBMFYSA-N	351.451	-0.132	10	20	FBCD	
CCC(=O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2	1800475763	WKQOVVFZFNMMDA-QHBPRCKVSA-N	363.370	-0.325	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@@H](O)C[C@@H]3C(=O)OC)nc12	276649860	RTISGWQLLIXCEW-CMPLNLGQSA-N	364.358	-0.280	10	20	FBCD	
CN(C)c1ccc([C@H](CNC(=O)CNS(=O)(=O)N(C)C)N(C)C)cc1	891247250	HSCUSSBFQIVFHG-HNNXBMFYSA-N	371.507	-0.133	10	20	FBCD	
CN(C)c1ccc(CNC(=O)CN2CC[C@H](CS(N)(=O)=O)C2)cc1	932956464	SJWZSGWKXZCMLE-AWEZNQCLSA-N	354.476	-0.021	10	20	FBCD	
Nc1ccc(CC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cc1	746317363	QSUOHPJRWWXZAW-UHFFFAOYSA-N	358.398	-0.369	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N[C@@H]1CCNC1	861769622	OGULBMDBRVDRLM-CYBMUJFWSA-N	350.394	-0.243	10	20	FBCD	
O=C(C(=O)C(=O)N1C[C@@H]2C[C@H]1CN2)C(=O)N1CC[C@@H](c2cccnc2)C1	868401624	SOEVGLJXHYCXPS-RDBSUJKOSA-N	356.382	-0.892	10	20	FBCD	
COC[C@@H](O)CNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843079751	AWWXCEBVHKCDIR-SJORKVTESA-N	353.463	-0.225	10	20	FBCD	
CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cc(O)cs2)CC1	732354349	SNJNICJIAPKSRK-UHFFFAOYSA-N	355.416	-0.157	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)[C@H]3CCS(=O)(=O)N3)cc2)CC1	881854315	BDUWVKQDDDINPG-OAHLLOKOSA-N	352.460	-0.254	10	20	FBCD	
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](C)O)CC2)cc1	855581613	HBKZPJYWNZFVRP-CYBMUJFWSA-N	371.459	-0.356	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N=c3nc[nH]n3C)C2)cc1	1326220323	UMRYXHZPLSANSN-GFCCVEGCSA-N	358.402	-0.173	10	20	FBCD	
CN1CCN(C(=O)C(=O)NCCCSc2nccs2)[C@@H](CN)C1	842092075	JBAUCNLGOCYOFI-NSHDSACASA-N	357.505	-0.157	10	20	FBCD	
NCCn1cc(C(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)nn1	851629732	VZOKBZIDIIGHLT-AWEZNQCLSA-N	371.445	-0.132	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)NCCN3CCNC(=O)C3)cc2)CC1	883602732	ZLWWMXPIJSQLCO-UHFFFAOYSA-N	374.489	-0.331	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCS(=O)(=O)C1	1337879954	GLZWORFRBGEHRK-CYBMUJFWSA-N	353.444	-0.019	10	20	FBCD	
NCC(=O)N1CCCC12CN(C(=O)C1=NN(c3ccccc3)C(=O)C1)C2	1842876774	FDMJNIOACPMIDI-UHFFFAOYSA-N	355.398	-0.059	10	20	FBCD	
COC(=O)C[C@H]1C(=O)NCCN1CC(=O)NCc1ccc(N(C)C)cc1	7356386	HIJUIJDJMCZICK-HNNXBMFYSA-N	362.430	-0.268	10	20	FBCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCS(=O)(=O)N1CCOCC1	779508218	GVIJUUUIHMPZAR-RQOWECAXSA-N	356.400	-0.111	10	20	FBCD	
CN(C)c1ccc(CN(C)c2[nH]c(=O)n(C)c(=O)c2-c2nn[nH]n2)cc1	1591031064	BAQIPGJEWBPCOT-UHFFFAOYSA-N	356.390	-0.044	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)NCC(=O)N(C)C)C2)cc1	824591002	OWPDVEAURJARIK-CYBMUJFWSA-N	362.430	-0.158	10	20	FBCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1C[C@H](O)[C@@H](CO)C1	817862422	YIITZUUUEYJVNT-LXZKKBNFSA-N	363.458	-0.080	10	20	FBCD	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(=O)N1C[C@@H]2CNC[C@@H]2C1	851690671	AHZBUXXRULCURA-IYBDPMFKSA-N	372.469	-0.058	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)NCC3(N)CC3)CC2)c(OC)c1	911507129	WTAXTUIMZAYNCR-UHFFFAOYSA-N	362.430	-0.040	10	20	FBCD	
O=C1N[C@@H](CO)C(=O)N1Cc1ccc(N2CCS(=O)(=O)CC2)cc1	1334371470	VHOVXJLJMHBPKK-ZDUSSCGKSA-N	353.400	-0.666	10	20	FBCD	
COc1ccc(O)c(CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1	734015306	GYEJQCDOPOOHGM-UHFFFAOYSA-N	373.369	-0.536	10	20	FBCD	
COC(=O)[C@@H](CO)NC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843066034	RIROHLZCGJGDEH-DOTOQJQBSA-N	367.446	-0.698	10	20	FBCD	
C[C@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S	1804336407	VKTGVDNVIIIZTO-MMWGEVLESA-N	371.484	-0.134	10	20	FBCD	
CN1C(=O)CC[C@@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1=O	819724109	PZUSVENJOITPGE-SNVBAGLBSA-N	355.372	-0.359	10	20	FBCD	
COC[C@H](CO)NC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843077178	AWAZUQMRQRJNSK-RDJZCZTQSA-N	353.463	-0.225	10	20	FBCD	
C[C@@H](CN)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2	1795510860	GJBOLUVNXSUHJE-BTABJRDXSA-N	364.402	-0.709	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H](N)C3CC3)cc2)CC1	884678942	PUWXJXRGGZBLBF-QGZVFWFLSA-N	359.474	-0.092	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O	1326258697	DILLPPOHGIXOQB-AWEZNQCLSA-N	360.414	-0.025	10	20	FBCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)NOCC(N)=O)CC2)cc1	778418889	GICJHTUZRPVYIM-VOTSOKGWSA-N	362.386	-0.567	10	20	FBCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCO[C@@H](C(=O)O)C1	817115553	MHLFSABEEHWUIL-OAHLLOKOSA-N	359.382	-0.009	10	20	FBCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	1608747014	ZRTCKLUNQQLADX-UMVBOHGHSA-N	371.773	-0.128	10	20	FBCD	
O=C([C@@H]1C[C@H](O)CN1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843250409	VPFRHUQHBHXQTR-RYUDHWBXSA-N	362.386	-0.967	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O	108245135	SJWPSYRTTUKHSR-UHFFFAOYSA-N	357.370	-0.202	10	20	FBCD	
CCN(CC)c1ccc(CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1	284316652	WCCZUOWCDOWJJM-HNNXBMFYSA-N	362.430	-0.138	10	20	FBCD	
C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)S(N)(=O)=O	768613687	JSMSTFSCTZDASM-SSDOTTSWSA-N	351.406	-0.830	10	20	FBCD	
Cn1c(=O)c2cc(C(=O)NCc3ccc(O)c(O)c3)n(C)c2n(C)c1=O	778917125	YEDVGOBZEGOTNN-UHFFFAOYSA-N	358.354	-0.083	10	20	FBCD	
CN(C)c1ccc(Cn2cc(CNC(=O)CN3CCNCC3)nn2)cc1	881272126	NGXZYEDWZYEHRZ-UHFFFAOYSA-N	357.462	-0.086	10	20	FBCD	
CN(C)c1ccc([C@H](CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)N(C)C)cc1	891246684	DYNRTCFWBHLUEQ-BSDSXHPESA-N	363.458	-0.116	10	20	FBCD	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@H]2O)cc1	1078253548	GOEFKJNGVVKQLT-JHJVBQTASA-N	360.374	-0.488	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N[C@H]2CC(=O)N(C)C2)cc1	1261534182	IRDGGDRUOUYQKX-ZDUSSCGKSA-N	362.430	-0.063	10	20	FBCD	
CNC(=O)[C@H](C)NC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	1336783921	LKDGFBFWOQFZOY-HOCLYGCPSA-N	350.463	-0.098	10	20	FBCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@@H]1CCS(=O)(=O)C1	1336331675	ZRWUBYKPKOVRPY-CQSZACIVSA-N	363.439	-0.018	10	20	FBCD	
CS(=O)(=O)N1CCN(CCNC(=O)/C=C\c2ccc(O)c(O)c2)CC1	779496787	BJLFMGGDVHGYLY-HYXAFXHYSA-N	369.443	-0.196	10	20	FBCD	
O=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CCN1	1846421802	IJQDKNQGFRKDJA-NSHDSACASA-N	374.397	-0.164	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1	1325070719	AITGCKPLXYKBOD-OAHLLOKOSA-N	359.430	-0.053	10	20	FBCD	
O=C(Cn1ccnn1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843249704	NMXUVSNTZSCEDY-UHFFFAOYSA-N	358.358	-0.399	10	20	FBCD	
COC(=O)[C@@H]1C[C@H](O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	844120526	ZLYMWOTUUQYPGN-KOLCDFICSA-N	372.399	-0.240	10	20	FBCD	
O=C(C(=O)C(=O)N1[C@H]2CC[C@H]1CNC2)C(=O)N1CC[C@@H](c2cccnc2)C1	852925457	HARRQFJHYRLVQZ-ILXRZTDVSA-N	370.409	-0.502	10	20	FBCD	
CNS(=O)(=O)c1cc(NS(=O)(=O)CCOCCOC)ccc1O	790408310	WAWQFJHCRWCJAP-UHFFFAOYSA-N	368.433	-0.295	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNCc3nnn(C)n3)CC2)cc1	819270843	JJKKBNQBYCLGNG-OAHLLOKOSA-N	361.450	-0.509	10	20	FBCD	
CN1C[C@@H](NC(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1=O	1323294846	KGQQVZYCUQOFEK-HNNXBMFYSA-N	374.441	-0.172	10	20	FBCD	
NC(=O)C1CCN(c2ccc(CNC(=O)CN3CCNCC3)cc2)CC1	1330993310	GYUVRRCDSVJXBI-UHFFFAOYSA-N	359.474	-0.090	10	20	FBCD	
C[C@@H]1CN(c2nnnn2Cc2ccc(N3CCOCC3)cc2)CC(=O)N1	1352234120	SBDVSDYSAHDSIW-CYBMUJFWSA-N	357.418	-0.117	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3C[C@H](O)C[C@H]3C(=O)O)CC2)cc1	738023891	VVRFPZFUVRJYAK-ZBFHGGJFSA-N	363.414	-0.136	10	20	FBCD	
COCCCS(=O)(=O)NCC(=O)OCC(=O)c1ccc(O)c(O)c1	784261022	HVGUQOTWIQJYDM-UHFFFAOYSA-N	361.372	-0.220	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)CNC(=O)CNC(C)=O)C2)cc1	819583788	WEIHRIRGDSFOJB-CQSZACIVSA-N	362.430	-0.110	10	20	FBCD	
NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S	1804331536	GIGZKNJNFDJTOY-ILWJIGKKSA-N	356.473	-0.556	10	20	FBCD	
O=C1CN(CC(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)CCN1	909855161	DFLHUXGAFHOKSK-UHFFFAOYSA-N	368.384	-0.151	10	20	FBCD	
COc1ccc(-n2nnnc2CN2CC[C@@H]3CN(C(=O)C(N)=O)[C@@H]3C2)cc1	1084624187	GWSDNXVYQGLMEF-BXUZGUMPSA-N	371.401	-0.811	10	20	FBCD	
C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCc1ccc(O)c(O)c1	762263271	DLJIAHGPVYFSLQ-JTQLQIEISA-N	368.415	-0.143	10	20	FBCD	
Cc1nc(S(=O)(=O)NCC(=O)NCc2ccc(O)c(O)c2)cn1C	778927200	KPJOLJIOWZYHDA-UHFFFAOYSA-N	354.388	-0.266	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3C[C@H]4C(=O)NC(=O)[C@H]4C3)CC2)cc1	831729232	PCKFIYNTPZAWRP-IYBDPMFKSA-N	372.425	-0.452	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NCC(=O)N2CCNCC2)cc1F	842149390	XWYIIQXPXPMBDU-UHFFFAOYSA-N	365.409	-0.944	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(=O)N1CCOCC1	1322910714	HGDJVCQSAYWASC-UHFFFAOYSA-N	362.430	-0.348	10	20	FBCD	
CN(Cc1cn(C)nn1)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	1118656931	HEQHMRQTAPNJTL-UHFFFAOYSA-N	372.429	-0.074	10	20	FBCD	
CCS(=O)(=O)NCCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1329297011	MHKLNGYEVDZKJO-LBPRGKRZSA-N	370.475	-0.015	10	20	FBCD	
CNS(=O)(=O)[C@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1	155847387	CCUFCXRTUTUBCG-HNNXBMFYSA-N	354.476	-0.008	10	20	FBCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)N3CCNC(=O)C3)CC2)cc1	778225182	LQHYXGJNCQAZCE-SREVYHEPSA-N	372.425	-0.142	10	20	FBCD	
CN1CCNC[C@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	1340185114	RLZBEZGKDUWOTJ-WBVHZDCISA-N	359.474	-0.092	10	20	FBCD	
COCCONC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	898323726	VBIQLJUTGUNTHM-UHFFFAOYSA-N	350.419	-0.251	10	20	FBCD	
COCCN1C(=O)/C(=C\NNc2ncncc2Cl)C(=O)NC1=S	780142095	CEBVQDUKBARRGA-DAXSKMNVSA-N	356.795	-0.180	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3C[C@@H](CO)[C@H](CO)C3)CC2)cc1	859448050	DIEBJPGILBDFNP-HOTGVXAUSA-N	363.458	-0.124	10	20	FBCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1	1261318491	CAYVZBFCBOXLNB-ZDUSSCGKSA-N	374.397	-0.107	10	20	FBCD	
O=C(NCCCSc1nccs1)C(=O)NCC(=O)N1CCOCC1	1322748016	IKNSPDWOAFMCKA-UHFFFAOYSA-N	372.472	-0.284	10	20	FBCD	
CC[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1	1796136405	BEBDPNJWIWJKCN-NWJSVONSSA-N	365.386	-0.533	10	20	FBCD	
O=C1C[C@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)CN1	1801669837	AHHXEVVBKUKZDY-RVMXOQNASA-N	374.397	-0.119	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN3C[C@H](O)[C@H](O)C3)CC2)cc1	754049117	HMZZSXJNYLVNAN-RYQLBKOJSA-N	351.447	-0.785	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@H]2CCS(=O)(=O)C2)cc1	1321656966	JQEHYUJHCBKHDT-CYBMUJFWSA-N	353.444	-0.080	10	20	FBCD	
N[C@@H]1CCCN(C(=O)C(=O)C(=O)C(=O)N2CC[C@@H](c3cccnc3)C2)C1	1326503463	UGSWBYDJFKIZHN-ZIAGYGMSSA-N	358.398	-0.515	10	20	FBCD	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@H]2O)cc1	1078253547	GOEFKJNGVVKQLT-FRRDWIJNSA-N	360.374	-0.488	10	20	FBCD	
CNS(=O)(=O)[C@@H]1CCN(CC(=O)NCc2ccc(N(C)C)cc2)C1	155847279	CCUFCXRTUTUBCG-OAHLLOKOSA-N	354.476	-0.008	10	20	FBCD	
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC[S@](C)=O)N(C)C)cc1	930022299	WGWIUELQRRHQMU-MQNRADLISA-N	368.503	-0.034	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O	1604818251	DNLRNXYFESKFNN-UHFFFAOYSA-N	357.330	-0.507	10	20	FBCD	
CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2C)CCO1	807099987	DTWGCJCLBZYLSZ-OAHLLOKOSA-N	362.430	-0.349	10	20	FBCD	
COc1ccc(-n2nnnc2CNCCNC(=O)[C@@]23COC[C@@H]2C3)cc1	1127748823	YPUTZPBEKXJVAB-SJCJKPOMSA-N	358.402	-0.087	10	20	FBCD	
Cc1ccc(-c2nn[nH]n2)c(N2CC=C(CCNC(=O)C(N)=O)CC2)n1	1592077409	FZCFYLBQBNVCQI-UHFFFAOYSA-N	356.390	-0.302	10	20	FBCD	
COc1ccc(O)c(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1	751415118	KTXNVQUYLWCNIP-UHFFFAOYSA-N	355.372	-0.723	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN3CCOC[C@H]3CO)CC2)cc1	769902663	CTERECRFUNOLJD-MSOLQXFVSA-N	365.474	-0.129	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N(C)[C@@H]3CCNC3=O)C2)cc1	1349036229	HLUPGFHXOFMTPA-XJKSGUPXSA-N	374.441	-0.015	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NN2CCS(=O)(=O)CC2)c1	862734858	QLDRMDKNJLOOOX-UHFFFAOYSA-N	363.417	-0.861	10	20	FBCD	
CN(C)c1ccc(CNC(=O)Cn2c(O)ncc(-c3nn[nH]n3)c2=O)cc1	1591031084	BTJCQBLLWJTKAO-UHFFFAOYSA-N	370.373	-0.489	10	20	FBCD	
CN(CCCNC(=O)C(=O)NCCc1ccc(N)cc1)S(C)(=O)=O	1327486089	LJMRPUBRJOCAKT-UHFFFAOYSA-N	356.448	-0.675	10	20	FBCD	
COCCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2	1795348955	DAOXQAYLGURVMD-DRXBFXEBSA-N	365.386	-0.268	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NCc2cc(C(N)=O)no2)cc1F	803662798	NFCAOIZNDXNAHD-UHFFFAOYSA-N	363.349	-0.089	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3COCC[C@H]3O)CC2)cc1	872224264	BDMIRVNYODPFHJ-QXAKKESOSA-N	365.474	-0.083	10	20	FBCD	
COC(=O)NCC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2	1846511325	KREKKJPEYFBKEH-UHFFFAOYSA-N	364.358	-0.334	10	20	FBCD	
C[C@H]1C(=O)NCCN1C(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	298693053	NFFRTQXLFJZFGS-AWEZNQCLSA-N	374.441	-0.172	10	20	FBCD	
C[C@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	881849601	GIYSNIONYZFDKV-ZDUSSCGKSA-N	354.476	-0.008	10	20	FBCD	
O=C(NC1CC1)C(=O)N1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768440081	RMUBJBIQSKKWQN-OAHLLOKOSA-N	361.398	-0.259	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1	1329685311	WWGXTZNGQSQFLD-GJZGRUSLSA-N	362.430	-0.140	10	20	FBCD	
CCS(=O)(=O)CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1330943666	GKVQWBUTRADTAE-UHFFFAOYSA-N	374.484	-0.028	10	20	FBCD	
O=C1CN(C(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)CCN1	297773818	HJEYDGVUKRNPFD-AWEZNQCLSA-N	361.398	-0.142	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNCc3nnnn3C)CC2)cc1	1120598563	DFXLSQZKUNORHQ-OAHLLOKOSA-N	361.450	-0.509	10	20	FBCD	
CN(CC(=O)N1CCOCC1)C(=O)C(=O)NCc1ccc(N(C)C)cc1	1325390511	DGFNUHMKWMJVJD-UHFFFAOYSA-N	362.430	-0.314	10	20	FBCD	
C[C@@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N1CCS(=O)(=O)CC1	272402812	IAAASQZLAKXCQI-JOAKQRRISA-N	368.411	-0.127	10	20	FBCD	
CNS(=O)(=O)CCNC(=O)C(=O)NCCCSc1nccs1	1258437210	OPPXPBQLAAFPRT-UHFFFAOYSA-N	366.490	-0.593	10	20	FBCD	
COCCCNC(=O)CN(C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	748843485	LPLYLZZUOARTBH-UHFFFAOYSA-N	373.431	-0.012	10	20	FBCD	
O=S(=O)(NCc1ccc(N2CCC(O)CC2)cc1)N1CCNCC1	923659577	XLXFVZFMRXULFY-UHFFFAOYSA-N	354.476	-0.113	10	20	FBCD	
CC[C@@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1078253662	LTVZVROAEVXQTA-FRRDWIJNSA-N	362.390	-0.112	10	20	FBCD	
CC(=O)N1CCO[C@@]2(CCN(C(=O)CN3C(=O)CSC3=S)C2)C1	1785538444	PUFPTVQDZCDAPW-AWEZNQCLSA-N	357.457	-0.304	10	20	FBCD	
CC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)CN3C(=O)CSC3=S)[C@H]2C1	1792238642	LRDWXOGTFKZGRW-SRVKXCTJSA-N	371.484	-0.154	10	20	FBCD	
O=C(C(=O)N1CCN(C(=O)c2cc(O)cs2)CC1)N1CCOCC1	731866771	ZTNXQIVZKAUVPG-UHFFFAOYSA-N	353.400	-0.403	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CN3CCN2CC3)c1	269645196	TZSSSLSWHCERCE-LBPRGKRZSA-N	354.432	-0.507	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)NC[C@@H](C)N)CC2)c(OC)c1	884685154	ZYXSBPQSEWPAFF-GFCCVEGCSA-N	350.419	-0.184	10	20	FBCD	
COC(=O)COCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	806524971	IGONUAPNMNEZEE-UHFFFAOYSA-N	370.427	-0.273	10	20	FBCD	
CN1C(=O)CC[C@H](NC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1=O	819724108	PZUSVENJOITPGE-JTQLQIEISA-N	355.372	-0.359	10	20	FBCD	
COc1ccc(N2CCN(CCCNC(=O)C(=O)NCCN)CC2)cc1	842046613	ZWHYTFPEXJZBJQ-UHFFFAOYSA-N	363.462	-0.602	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCN(S(C)(=O)=O)C2)cc1	1118278729	JZSCCZOZDIQYST-ZDUSSCGKSA-N	368.459	-0.481	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)C(=O)O)CC2)c1	1594171328	KMDRIRGSHWBIBK-UHFFFAOYSA-N	371.371	-0.867	10	20	FBCD	
COc1ccc(O)c([C@@H](C)NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1	775370986	YZNMWJBIAQQFMU-SECBINFHSA-N	362.386	-0.086	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1F	803663436	OYTDVLOQIDXAEK-LLVKDONJSA-N	372.422	-0.603	10	20	FBCD	
CC1(C)CN(C(=O)C(=O)C(=O)C(=O)N2CC[C@H](c3cccnc3)C2)CCN1	1332339119	KMULSMNHTNXYMN-AWEZNQCLSA-N	372.425	-0.254	10	20	FBCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)C1(n2cnnn2)CC1	1329261079	QTLDQKQUNYYWHL-NSHDSACASA-N	361.358	-0.136	10	20	FBCD	
Cc1ccc(O)c(CNC(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)c1	1351598211	YBIVQZYBZJAOAO-UHFFFAOYSA-N	360.374	-0.365	10	20	FBCD	
COc1ccc(CNC(=O)Cn2cc(-c3nn[nH]n3)c(O)nc2=O)c(O)c1	1591593894	MIWDMXHVNPRKIU-UHFFFAOYSA-N	373.329	-0.840	10	20	FBCD	
COC[C@](C)(O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	754992295	YKVVSLPXQPMFLZ-INIZCTEOSA-N	356.444	-0.065	10	20	FBCD	
COC(=O)[C@@H](O)CNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843088081	LYRKYHCMDAWPDW-WBVHZDCISA-N	367.446	-0.698	10	20	FBCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CC(=O)N(CCN2CCOCC2)C1	272293193	HLAMCKQTDICNSG-AWEZNQCLSA-N	363.414	-0.105	10	20	FBCD	
C[C@@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2	1841655450	PGHSRCCBYAVENR-JTQLQIEISA-N	362.386	-0.179	10	20	FBCD	
O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)CCn2cncn2)C1	1846545856	HOCLRAKXPZLGOF-UHFFFAOYSA-N	372.385	-0.008	10	20	FBCD	
CN1CCN(C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1=O	830620132	PVADTSMZUWCTSK-UHFFFAOYSA-N	374.441	-0.436	10	20	FBCD	
CNC(=O)[C@H]1CN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1	807677408	OLGARIPKZQSWLM-IUODEOHRSA-N	362.430	-0.097	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)cc1	1261534181	IRDGGDRUOUYQKX-CYBMUJFWSA-N	362.430	-0.063	10	20	FBCD	
C[C@H](NC(N)=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1329352027	NYOYACNHYYFAHC-NSHDSACASA-N	354.432	-0.406	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN3CCNC(=O)[C@@H]3C)CC2)cc1	779224089	YGFNSAGJUPZAAO-DOTOQJQBSA-N	362.474	-0.002	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@@](C)(CO)C(=O)O)CC2)cc1	1607270806	RAYCBYIOVKZYHD-QAPCUYQASA-N	367.446	-0.397	10	20	FBCD	
CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)n1	1320002865	XKMXHMNJMJAIEP-UHFFFAOYSA-N	373.417	-0.313	10	20	FBCD	
CCC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2	1836418055	XDICTGQYHCLIJP-KRWDZBQOSA-N	365.386	-0.027	10	20	FBCD	
COC[C@@H](O)C(=O)OCC(=O)N1CCN(c2ccc(OC)cc2)CC1	766138478	PXFWOAMDANUZTL-OAHLLOKOSA-N	352.387	-0.106	10	20	FBCD	
NC(=O)CC(=O)NCCC1=CCN(c2ncccc2-c2nn[nH]n2)CC1	1592725282	QJUUVRCMPVNADU-UHFFFAOYSA-N	356.390	-0.220	10	20	FBCD	
COC(=O)c1cnc(SCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)s1	295397548	VTQRGQSZWZLLOK-UHFFFAOYSA-N	370.412	-0.116	10	20	FBCD	
CC(=O)C(=O)COC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1	808517860	PVDSKVHFGGBDGS-JTQLQIEISA-N	368.367	-0.612	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)OCC(=O)NC(=O)NC2CC2)c1	920637597	KPWBZFMXPJSTGU-UHFFFAOYSA-N	371.371	-0.091	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCN3C)cc2)CC1	931226761	WQSLCOFTXJIJHG-KRWDZBQOSA-N	359.474	-0.125	10	20	FBCD	
CO[C@@H]1CS(=O)(=O)C[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O	849362245	QVJRCWJCRHJKKW-DGCLKSJQSA-N	354.384	-0.032	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN[C@](C)(CO)C(=O)O)CC2)cc1	1607269424	LBUXDNGCFBMZHC-QGZVFWFLSA-N	351.403	-0.231	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1F	803663439	OYTDVLOQIDXAEK-NSHDSACASA-N	372.422	-0.603	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3C(=O)C(=O)N(C)C3=O)CC2)cc1	5280441	RBMZRHBYSRCHHJ-UHFFFAOYSA-N	360.370	-0.236	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@H](CO)[C@@H](O)C3)nc12	787997587	USBHEXUMXRKOBN-MFKMUULPSA-N	350.375	-0.213	10	20	FBCD	
COc1ccc(CN[C@@H]2CN(C(=O)C(N)=O)C[C@@H]2n2ccnn2)cc1C	1070264231	DGEAHHIQCHGTIK-KGLIPLIRSA-N	358.402	-0.378	10	20	FBCD	
O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)COCCO)C1	1845211716	AQHXNBVWMWXZDA-UHFFFAOYSA-N	351.359	-0.681	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCO[C@H](C(=O)NC)C3)nc12	272893293	OEKBYTLAEPCDCA-LBPRGKRZSA-N	363.374	-0.442	10	20	FBCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NCc1nnn(C)n1	1346518759	SHZGHTMTFYMTFF-UHFFFAOYSA-N	373.417	-0.679	10	20	FBCD	
CC(=O)NCC(=O)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	58967062	APIKZBIFVPNIIO-UHFFFAOYSA-N	366.393	-0.469	10	20	FBCD	
CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	285636195	FQJIKTAPEJRXPA-AWEZNQCLSA-N	366.393	-0.519	10	20	FBCD	
CN(CCOCCN)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	861761277	ASNGCFYIZVWUKH-UHFFFAOYSA-N	364.446	-0.427	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)N[C@H](C)CN)CC2)c(OC)c1	884704705	QEQVWGGCBRSHCN-GFCCVEGCSA-N	350.419	-0.184	10	20	FBCD	
CN1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1=O	1330894676	WUVIYQSAGSAMMO-CQSZACIVSA-N	374.441	-0.389	10	20	FBCD	
CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@@H](C)c2ccc(N(C)C)cc2)CCO1	807677412	OLGARIPKZQSWLM-WFASDCNBSA-N	362.430	-0.097	10	20	FBCD	
COc1ccc(-n2nnnc2CN2[C@H]3CC[C@@H]2C[C@H]3NC(=O)C(N)=O)cc1	1097764621	NALVKLGZXPHPOK-BNOWGMLFSA-N	371.401	-0.622	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN3C(=O)NC[C@H]3C2)c1	1322418297	MIXPMGLCFPVTCW-JTQLQIEISA-N	354.388	-0.387	10	20	FBCD	
CCNS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1323191412	DQQULCPGFDTUIR-LBPRGKRZSA-N	370.475	-0.015	10	20	FBCD	
O=C1C[C@@H](C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)CN1	1801669836	AHHXEVVBKUKZDY-FVCCEPFGSA-N	374.397	-0.119	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N3CCNC(=O)C3)cc2)CC1	898330113	ZHXJYLQOSNFRBD-UHFFFAOYSA-N	359.430	-0.987	10	20	FBCD	
CNC(=O)Cn1cnc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)n1	1320004159	NUJFLXDPNMAQBZ-UHFFFAOYSA-N	359.390	-0.655	10	20	FBCD	
COc1ccc(N2CCN(CCNC(=O)[C@@H](N)CC(=O)O)CC2)cc1	1599585156	NFLAMDUQZOKZOF-HNNXBMFYSA-N	350.419	-0.265	10	20	FBCD	
CC[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)CN1C(=O)CSC1=S	1847497383	NQEDOUCFGPHIKX-DCAQKATOSA-N	371.484	-0.181	10	20	FBCD	
CNC(=O)[C@@H](C)NC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	1346236861	LKDGFBFWOQFZOY-GDBMZVCRSA-N	350.463	-0.098	10	20	FBCD	
COCCN1C(=O)/C(=C\NNc2nccnc2Cl)C(=O)NC1=S	265076067	OYYUNHRTDRQRBT-SREVYHEPSA-N	356.795	-0.180	10	20	FBCD	
O=C(C(=O)C(=O)N1CC[C@H](c2cccnc2)C1)C(=O)N1C[C@@H]2CC[C@H](C1)N2	868399747	BPNRXOBPBSUYRC-SOUVJXGZSA-N	370.409	-0.502	10	20	FBCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N(CCN)CCO	842072243	KZLYGDQKRXFNAX-AWEZNQCLSA-N	350.463	-0.112	10	20	FBCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCNC3)cc2)C1	851686928	KETGKUKOMACVTM-CABCVRRESA-N	373.457	-0.517	10	20	FBCD	
Cn1nncc1C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1	1848279717	VJSAMRJVANFUES-QWRGUYRKSA-N	358.358	-0.250	10	20	FBCD	
CN1CCN(C)[C@@H](CNC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1	285693229	KQEDPADIROZMON-AWEZNQCLSA-N	365.453	-0.130	10	20	FBCD	
Cn1[nH]cnc1=NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	774049979	LCCOSUJLYIOPIK-UHFFFAOYSA-N	364.431	-0.207	10	20	FBCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCO[C@H](C(=O)O)C1	817115552	MHLFSABEEHWUIL-HNNXBMFYSA-N	359.382	-0.009	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)NCCN3CCNCC3)ccc21	842150201	ONWUWQLWUUOERO-UHFFFAOYSA-N	359.474	-0.293	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@H](O)[C@@H]2C(=O)O)c1	1599761566	SCPURKZEPXFOGR-NWDGAFQWSA-N	358.372	-0.186	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(COC(=O)C3(CO)COC3)nc12	1256451853	FBLYMHARGMTXCG-UHFFFAOYSA-N	351.315	-0.336	10	20	FBCD	
CCN(CC)c1ccc(CNC(=O)C(=O)NCCS(=O)(=O)NC)cc1	1321599223	RVTGDBKTKUONJU-UHFFFAOYSA-N	370.475	-0.186	10	20	FBCD	
Cn1cc(/C=C/C(=O)N2C[C@@H](C(=O)O)Oc3ccccc32)c(=O)n(C)c1=O	1600947906	XZSHUTVHXSRWSK-NPQIQWPPSA-N	371.349	-0.024	10	20	FBCD	
CS(=O)(=O)N1CC[C@@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C1	1346283065	REONBNDNEXDAQT-CYBMUJFWSA-N	354.432	-0.922	10	20	FBCD	
CC(C)(C(=O)O)N1CCN(C(=O)C(=O)NCCc2ccc(N)cc2)CC1	1589620961	ROWYCHJVHWBWJL-UHFFFAOYSA-N	362.430	-0.065	10	20	FBCD	
COCCOCC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843249580	AKFDLJPEYDTXGS-UHFFFAOYSA-N	365.386	-0.027	10	20	FBCD	
CCS(=O)(=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O	69534721	COWRRCUDNURMFR-UHFFFAOYSA-N	350.418	-0.072	10	20	FBCD	
NS(=O)(=O)N1CCC[C@@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1	815263455	QHGLGIJWQYCPLX-SNVBAGLBSA-N	358.372	-0.261	10	20	FBCD	
COC(=O)[C@H]1C[C@@H](O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	844120525	ZLYMWOTUUQYPGN-GXSJLCMTSA-N	372.399	-0.240	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)CN3CCN(C)C(=O)C3)cc2)CC1	881851906	DEAVQZIJYVMWSZ-UHFFFAOYSA-N	359.474	-0.171	10	20	FBCD	
C[C@H](O)CN(CCO)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	289995933	YQCUSQCHLVJSHM-AWEZNQCLSA-N	369.437	-0.046	10	20	FBCD	
NC(=O)c1cc(S(=O)(=O)NCC(=O)NCc2ccccc2O)c[nH]1	769363498	RKTAOLIEILFEFP-UHFFFAOYSA-N	352.372	-0.586	10	20	FBCD	
NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)NCCCSc2nccs2)O1	1323483501	YVHISSKJJPTPOA-VHSXEESVSA-N	372.472	-0.109	10	20	FBCD	
CO[C@@H](C(=O)O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1574104909	LDHYWUGLNNZCOJ-CYBMUJFWSA-N	356.400	-0.363	10	20	FBCD	
CN1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)C1=O	1350744279	HBSXJCODZOVABO-MRXNPFEDSA-N	374.441	-0.389	10	20	FBCD	
C[C@@H](O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)CN1C(=O)CSC1=S	1804336406	VKTGVDNVIIIZTO-CHWFTXMASA-N	371.484	-0.134	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCS(=O)(=O)CC3)nc12	57846404	DELSLGKDLGIWTD-UHFFFAOYSA-N	354.388	-0.158	10	20	FBCD	
COC(=O)C1(O)CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	1319973643	SKSLCWFCFAPEOX-UHFFFAOYSA-N	372.399	-0.096	10	20	FBCD	
C[S@](=O)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	1325610383	CEPHZBASAQJZTH-DEOSSOPVSA-N	353.444	-0.366	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)c1	1599761575	UBQVCFKPOFRYCG-PSASIEDQSA-N	358.372	-0.329	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3CCO[C@@H](C(N)=O)C3)CC2)cc1	51104573	IRDFQGYYNUNUFB-MRXNPFEDSA-N	362.430	-0.470	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CNS(=O)(=O)N(C)C)CC2)cc1	243184478	JYCLFTARDIUACI-UHFFFAOYSA-N	356.448	-0.260	10	20	FBCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)c1cn(CC(N)=O)nn1	819696470	VEQREHQFJIMFBZ-UHFFFAOYSA-N	361.358	-0.326	10	20	FBCD	
Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)N3CCOCC3)CC2)cc1	1327416899	VGIQSPSTUNOPDH-UHFFFAOYSA-N	361.402	-0.196	10	20	FBCD	
CC(=O)NCC(=O)N1CCCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	1331721873	QZCAWRCWPNARON-UHFFFAOYSA-N	361.402	-0.596	10	20	FBCD	
C[C@@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)S(N)(=O)=O	768613703	JSMSTFSCTZDASM-ZETCQYMHSA-N	351.406	-0.830	10	20	FBCD	
COC(=O)CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	788601347	ZDYBNRMFHBXKLB-UHFFFAOYSA-N	371.415	-0.306	10	20	FBCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3OCCN(C)C3=O)cc2)CC1	907641487	UILADWHIDAPENS-KRWDZBQOSA-N	374.441	-0.172	10	20	FBCD	
NC(=O)N[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1	1323083751	MVZNCUZXNDUKEM-CQSZACIVSA-N	357.414	-0.052	10	20	FBCD	
Cc1c(CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)n(C)c2ccccc12	567137400	IENGWMMBFBHLCH-OAHLLOKOSA-N	358.398	-0.184	10	20	FBCD	
O=C(NCC(=O)N1CCOCC1)C(=O)NCc1ccc(N2CC=CC2)cc1	1261086715	AULFQZWAVMCAFS-UHFFFAOYSA-N	372.425	-0.346	10	20	FBCD	
NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)O1	1347080098	ISGQWJWBKIOHJS-CVEARBPZSA-N	372.425	-0.172	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3CCNCC3=O)CC2)cc1F	237265925	FOVVHQBLOIIIEV-UHFFFAOYSA-N	350.394	-0.085	10	20	FBCD	
Cn1cnn(CC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)c1=O	778637566	ITRMOZSUYOZFMK-CQSZACIVSA-N	372.429	-0.400	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCC(O)(C(N)=O)CC3)nc12	787669424	IEGJTBSXHCUZKG-UHFFFAOYSA-N	363.374	-0.576	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@@H](CO)[C@H](CO)C3)nc12	859446987	IRDAQWZJRZWXLH-QWRGUYRKSA-N	350.375	-0.356	10	20	FBCD	
O=C(CN(CCO)CCCO)NCc1ccc(N2CCOCC2)c(F)c1	264759659	XUHQGQDDLJIIQE-UHFFFAOYSA-N	369.437	-0.045	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H]4CNC[C@@H]43)cc2)CC1	885210325	QGWJJKXYGDWARB-AEFFLSMTSA-N	371.485	-0.125	10	20	FBCD	
O=C1NC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)O1	1843249044	PYXDQLMHZVXTMN-JTQLQIEISA-N	362.342	-0.582	10	20	FBCD	
C[C@H](C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)n1cnnn1	1846645381	DVJGXKALJKPDKZ-SNVBAGLBSA-N	373.373	-0.443	10	20	FBCD	
NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCc2ccccc2O)o1	769358864	CBZSEUAFXHTQDA-UHFFFAOYSA-N	353.356	-0.321	10	20	FBCD	
C[C@H]1CN[C@H](C)CN1C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1	843058211	OTKXORPQLLYLNN-VNHYZAJKSA-N	372.425	-0.256	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N2CCO[C@@H](CN)C2)cc1	846363407	OBRKTLQHEFEIKO-INIZCTEOSA-N	364.446	-0.224	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N3CCCNCC3)cc2)CC1	885210197	MATMSEYPSMDEDT-UHFFFAOYSA-N	359.474	-0.124	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N2CCCNC(=O)C2)cc1	1261903046	KQOLXNOWFIWYKS-UHFFFAOYSA-N	362.430	-0.062	10	20	FBCD	
CCOC(=O)[C@@H](N)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1329937379	NBHZRKVQXRVIDL-AWEZNQCLSA-N	369.443	-0.572	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N2C[C@@H](CO)[C@@H](O)C2)cc1	846276435	RBOAMSYPPBMYBW-BBRMVZONSA-N	365.430	-0.599	10	20	FBCD	
CC(=O)N1CCN(c2ccc(CNC(=O)c3cn(CCN)nn3)cc2)CC1	852825129	GYKJWRVBRDPGIN-UHFFFAOYSA-N	371.445	-0.165	10	20	FBCD	
CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1cccc(O)c1O	854383091	VPFANZNMCACKGX-LLVKDONJSA-N	352.343	-0.382	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1	1329685315	WWGXTZNGQSQFLD-HUUCEWRRSA-N	362.430	-0.140	10	20	FBCD	
C[C@@H](NC(=O)C(=O)N(C)CCNS(C)(=O)=O)c1ccc(N(C)C)cc1	1342711451	CHDXEFWNDHLYFR-GFCCVEGCSA-N	370.475	-0.063	10	20	FBCD	
CC(C)NS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1	1322558424	FRUBORWJABNGNM-UHFFFAOYSA-N	370.475	-0.187	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCC(C)(C)NS(C)(=O)=O	1322943863	XCBWCZFGFSULDD-UHFFFAOYSA-N	357.432	-0.205	10	20	FBCD	
CCNS(=O)(=O)[C@@H]1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	1329696324	OGERSFKMEDABNQ-SNVBAGLBSA-N	369.403	-0.353	10	20	FBCD	
CC(=O)NCC(=O)NCC(=O)N(C)Cc1ccc(N2CCOCC2)cc1	299080182	YDGCEDYAZOKTAQ-UHFFFAOYSA-N	362.430	-0.266	10	20	FBCD	
Cn1c(N)c(C(=O)CN2CCCc3cc(CN)ccc32)c(=O)n(C)c1=O	843350748	UMUNHIFXXAZPSU-UHFFFAOYSA-N	357.414	-0.240	10	20	FBCD	
CCS(=O)(=O)NCCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	1341084999	BWSZYRZOGHDZPS-UHFFFAOYSA-N	374.438	-0.437	10	20	FBCD	
Cc1c(CNC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)n(C)c2ccccc12	567137399	IENGWMMBFBHLCH-HNNXBMFYSA-N	358.398	-0.184	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCNC(=O)[C@@H]2CC(=O)O)c1	833738471	WUQMYYVAZODIEM-JTQLQIEISA-N	371.371	-0.821	10	20	FBCD	
NC(=O)N=Nc1ccc(C(=O)NC2CN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1	994372241	FTBRHNJBJRVAQE-NEPJUHHUSA-N	358.358	-0.089	10	20	FBCD	
CNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc2c(c1)CCCN2C	1258303633	XNVKHQYYDUQLLO-UHFFFAOYSA-N	368.459	-0.649	10	20	FBCD	
CS(=O)(=O)CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1331265433	LIOQHIWRNWTIFU-UHFFFAOYSA-N	360.457	-0.418	10	20	FBCD	
O=C(O)/C=C/c1ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1	833194995	BWAASQZSMPJGKK-FWEMWIAWSA-N	360.326	-0.160	10	20	FBCD	
CN(C)c1ccc([C@@H](CNC(=O)CNS(=O)(=O)N(C)C)N(C)C)cc1	891247252	HSCUSSBFQIVFHG-OAHLLOKOSA-N	371.507	-0.133	10	20	FBCD	
Cn1c(=O)c2c(ncn2CCC(=O)NCc2ccc(O)c(O)c2)n(C)c1=O	272298020	IFEIMDODFWONGT-UHFFFAOYSA-N	373.369	-0.449	10	20	FBCD	
COC[C@@H](O)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	852500437	MLJLLEXCWDUPQQ-HNNXBMFYSA-N	371.459	-0.272	10	20	FBCD	
O=C(C(=O)C(=O)N1C[C@@H]2CC[C@H](C1)N2)C(=O)N1CC[C@@H](c2cccnc2)C1	868399741	BPNRXOBPBSUYRC-KFWWJZLASA-N	370.409	-0.502	10	20	FBCD	
O=C(COC(=O)c1cc(O)cs1)NC(=O)N[C@H]1CCS(=O)(=O)C1	778119567	ZRPBCTPQRBJKLJ-ZETCQYMHSA-N	362.385	-0.377	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NCCN2CCNC2=O)cc1F	897582078	YAVBEQFRNSUGFG-UHFFFAOYSA-N	351.382	-0.351	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)C(F)F	1795163211	OFIHGVYZKFHDCP-BZBKMWRSSA-N	357.313	-0.039	10	20	FBCD	
CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CCO1	285726868	NVOKAHNFCANPMI-INIZCTEOSA-N	374.441	-0.341	10	20	FBCD	
O=C(COC(=O)c1cccc(O)c1O)NC(=O)N[C@@H]1CCS(=O)(=O)C1	758557334	IREKAWOKBOTPDE-MRVPVSSYSA-N	372.355	-0.733	10	20	FBCD	
NC[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1333636162	PXTNAYVREHIPTD-HOTGVXAUSA-N	367.471	-0.099	10	20	FBCD	
CN(C)CC(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1	1847056991	YXRYWHHFPMIZDS-UHFFFAOYSA-N	370.500	-0.388	10	20	FBCD	
C[C@@H](NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)c1ccc(N(C)C)cc1	807674194	HXODPMWBOQHNOJ-BXUZGUMPSA-N	368.459	-0.181	10	20	FBCD	
O=C1C[C@@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)CN1	1796602878	WVCZVSSRUMAJDH-FVCCEPFGSA-N	374.397	-0.119	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@H](CO)[C@@H](C)O)CC2)cc1	843063408	ZCHYNOCXBOBHGP-UWWQBHOKSA-N	353.463	-0.491	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3CCN(C)C3=O)CC2)cc1	819089268	IYVMTVQLGOMBHR-SJLPKXTDSA-N	362.474	-0.002	10	20	FBCD	
COCC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1	283374595	GDTZIXGUCOKCKC-UHFFFAOYSA-N	362.430	-0.314	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N[C@@H]3CCN(C)C3=O)C2)cc1	1118175218	VSMQMGZRNBVIJM-XJKSGUPXSA-N	374.441	-0.015	10	20	FBCD	
CC(=O)N[C@@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2	1846003480	DIJMTRFLEXDHQA-JTQLQIEISA-N	362.386	-0.166	10	20	FBCD	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)C(=O)N1C[C@@H]2C[C@H]1CN2	884790803	BBVZNQDIMLLGFB-HOCLYGCPSA-N	358.442	-0.163	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@@H]3CCNC3=O)cc2)CC1	1119510407	WQBPAUZCTHKXQU-MRXNPFEDSA-N	373.457	-0.599	10	20	FBCD	
COc1ccc(N2CCN(CCNC(=O)C(=O)N(C)CCO)CC2)cc1	285858629	YQIYOMLXIYAPRG-UHFFFAOYSA-N	364.446	-0.616	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N3CCNC(=O)[C@@H]3C)C2)cc1	824973840	NAZMQFUWIZCGEI-KBPBESRZSA-N	374.441	-0.015	10	20	FBCD	
CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1	1321593044	JQRPIOFMRXGBBH-CQSZACIVSA-N	368.459	-0.481	10	20	FBCD	
CN(C)c1ccc(CNC(=O)CN2CCN3C(=O)C(=O)NC[C@@H]3C2)cc1	374206932	GREPNXZFGKMQEG-OAHLLOKOSA-N	359.430	-0.989	10	20	FBCD	
Cn1cc(C(=O)NCc2ccc(N3CCOCC3)cc2)c(=O)n(C)c1=O	735040724	RXMVOVMXYUHJML-UHFFFAOYSA-N	358.398	-0.149	10	20	FBCD	
CC(C)NS(=O)(=O)NCCN1C(=O)CN(Cc2ccccc2O)C1=O	819171448	WZSBZIHXOBGKRF-UHFFFAOYSA-N	370.431	-0.011	10	20	FBCD	
CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	826707878	ZBGQNVUECBKEMX-KGLIPLIRSA-N	369.443	-0.703	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCCS(N)(=O)=O)c1	818124336	CWHNROWDNZGUNL-UHFFFAOYSA-N	365.433	-0.438	10	20	FBCD	
CN(C)S(=O)(=O)NCC(=O)NCc1ccc(N2CCC(O)CC2)cc1	856215055	HUYJWKSTZNJWCA-UHFFFAOYSA-N	370.475	-0.340	10	20	FBCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CN3CCNCC3)cc2)C1	876731973	QPFKPQNXLQRJMM-INIZCTEOSA-N	359.474	-0.090	10	20	FBCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H]3CC(=O)NC(=O)N3)cc2)CC1	832795207	WSPVSKZCTLIVRU-HNNXBMFYSA-N	373.413	-0.431	10	20	FBCD	
C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)C[C@H]1N	885210485	UVXPVTHZNUIDMV-RHSMWYFYSA-N	359.474	-0.140	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1C[C@@H]2C[C@@]2(CO)C1	1323195579	VEGHCGMPFBFKQK-KXBFYZLASA-N	359.426	-0.020	10	20	FBCD	
CC[C@@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2	1792861438	KADMRWRSECRWRW-NWJSVONSSA-N	365.386	-0.533	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCNS(C)(=O)=O	1323244447	RQKMKSUZHYQORV-UHFFFAOYSA-N	356.448	-0.657	10	20	FBCD	
CN(C)CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1	1796137312	HAFFNISVBKZOKQ-DRXBFXEBSA-N	364.402	-0.742	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NC3CCNCC3)cc2)CC1	884674629	BCCNZTYCTSZMDL-UHFFFAOYSA-N	359.474	-0.077	10	20	FBCD	
COC(=O)C1=S=C(NC(=O)c2ccnc3c(C(N)=O)cnn23)C=C1C	1642546572	AFXRQOIFTWYQGL-UHFFFAOYSA-N	359.367	-0.274	10	20	FBCD	
CN(C)C(=O)CNC(=O)C(=O)NCc1cccc(Br)c1O	277450956	HXCQJDQXQHILNG-UHFFFAOYSA-N	358.192	-0.025	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(S(N)(=O)=O)CC1	298059249	DOPHEVILHYKBEF-UHFFFAOYSA-N	369.491	-0.468	10	20	FBCD	
O=C1NC(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C[C@H]12	760095273	LRHIAFCIMRAPFW-OAHLLOKOSA-N	373.413	-0.031	10	20	FBCD	
CC(=O)C(=O)COC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1	808517861	PVDSKVHFGGBDGS-SNVBAGLBSA-N	368.367	-0.612	10	20	FBCD	
O=C(NCC(=O)N1CCCC1)C(=O)NCc1ccc(N2CCOCC2)cc1	1327544182	VUTQSQKJXQEVHI-UHFFFAOYSA-N	374.441	-0.122	10	20	FBCD	
Cc1cc(C(=O)NC[C@H](O)C(N)=O)c(C)n1-c1ccc(-c2nn[nH]n2)cc1	1591924386	OQAFRQGTLRVTAW-AWEZNQCLSA-N	369.385	-0.150	10	20	FBCD	
CNC(=O)CN(C)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	779220468	VZORHRXKLSKBRR-MRXNPFEDSA-N	350.463	-0.144	10	20	FBCD	
NC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCCC3)cc2)CCO1	284309120	VQWYVBVQPPXXLD-HNNXBMFYSA-N	360.414	-0.384	10	20	FBCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)N3CCNC(=O)C3)CC2)cc1	778225183	LQHYXGJNCQAZCE-VOTSOKGWSA-N	372.425	-0.142	10	20	FBCD	
CCS(=O)(=O)NCC(=O)NCc1ccc(N2CCN(C)CC2)cc1	881850595	ZFMOUIAXNWLVKP-UHFFFAOYSA-N	354.476	-0.006	10	20	FBCD	
O=C1CC(C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)=NN1	1843250124	NXGXHUVJSSJOAI-UHFFFAOYSA-N	359.342	-0.814	10	20	FBCD	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	856213321	HSDWDPQFWMCQQS-KZNAEPCWSA-N	362.426	-0.323	10	20	FBCD	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C(=O)N1CCNCC1	842047944	VJGPHKOIHWIIQH-UHFFFAOYSA-N	368.384	-0.151	10	20	FBCD	
C[C@H]1CNCCN1C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1	843057965	JCGUBLLUNRQCMY-JSGCOSHPSA-N	358.398	-0.644	10	20	FBCD	
O=C(C(=O)C(=O)N1CC[C@H](c2cccnc2)C1)C(=O)N1CCCNCC1	1326992008	VXFIRMSGJCTXTH-AWEZNQCLSA-N	358.398	-0.642	10	20	FBCD	
CCNc1nc(NCC)n2c(SCC(=O)NCC(N)=O)nnc2n1	299471690	HDIISFSEPSATTN-UHFFFAOYSA-N	353.412	-0.924	10	20	FBCD	
C[C@H]1CN(C(=O)C(=O)C(=O)C(=O)N2CC[C@@H](c3cccnc3)C2)CCN1	843058360	PTRCJOJTOSRGSU-GXTWGEPZSA-N	358.398	-0.644	10	20	FBCD	
CN(C)c1ccc(CNC(=O)CN2CC[C@@H](CS(N)(=O)=O)C2)cc1	932956465	SJWZSGWKXZCMLE-CQSZACIVSA-N	354.476	-0.021	10	20	FBCD	
CN(C)c1ccc(CNC(=O)Cn2cncc(-c3nn[nH]n3)c2=O)cc1	1604704154	GVXUIHDNDCNYHO-UHFFFAOYSA-N	354.374	-0.194	10	20	FBCD	
CC(=O)NCCC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2	1846008424	KJSFKMUMHDVEQJ-UHFFFAOYSA-N	362.386	-0.164	10	20	FBCD	
CC(=O)C(=O)COC(=O)CCNS(=O)(=O)c1cccc([N+](=O)[O-])c1	808508973	KPECSEWZEWVDHE-UHFFFAOYSA-N	358.328	-0.036	10	20	FBCD	
O=C(NCCN1CCNCC1)C(=O)NCc1ccc(N2CCCC2)cc1	842213233	MLQZIWBWIQSAQQ-UHFFFAOYSA-N	359.474	-0.076	10	20	FBCD	
NC(=O)Cn1cc(C(=O)NCc2ccc(N3CCC(O)CC3)cc2)nn1	1328509417	OBUOSRLLOAMSCD-UHFFFAOYSA-N	358.402	-0.346	10	20	FBCD	
CON(C)C(=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1329607091	BLILKYAMMKJTAA-UHFFFAOYSA-N	355.416	-0.443	10	20	FBCD	
CNCCNC(=O)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	842153304	RONVGVQJQNPFOB-UHFFFAOYSA-N	363.462	-0.731	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCN(S(C)(=O)=O)C1	1327033611	NTZQLFHTVAXZNX-GFCCVEGCSA-N	355.416	-0.499	10	20	FBCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@H]2C(=O)NC(=O)[C@H]2C1	839220998	TWUSNCFTWOVCJY-GASCZTMLSA-N	372.425	-0.168	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@H]1CCN(S(C)(=O)=O)C1	1327033613	NTZQLFHTVAXZNX-LBPRGKRZSA-N	355.416	-0.499	10	20	FBCD	
Cc1ccc(C(=O)N[C@H](C)C(=O)N2CCS(=O)(=O)CC2)c(O)c1O	267641589	ZECDQEVDKAGUCW-SNVBAGLBSA-N	356.400	-0.218	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)N3CCNCC3)CC2)c(OC)c1	868385311	OYBGLXMXNAMUOX-UHFFFAOYSA-N	362.430	-0.216	10	20	FBCD	
CC(=O)NC[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1	1318579603	CYBGLIUJGCMYLP-LBPRGKRZSA-N	371.415	-0.259	10	20	FBCD	
C[C@@H](O)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1	1783519028	JCKSIKDZHCWGOH-HWPZZCPQSA-N	351.359	-0.683	10	20	FBCD	
COCCOCC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2	1842775863	WJJARHSAUNIDEK-UHFFFAOYSA-N	365.386	-0.027	10	20	FBCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NC(CO)CO	820986576	RAXHZLBEGJMTST-UHFFFAOYSA-N	357.432	-0.926	10	20	FBCD	
O=C1NC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)nc(O)c2)O1	1847848748	XWYMIYLVBVZKSY-DCAQKATOSA-N	362.342	-0.583	10	20	FBCD	
CNS(=O)(=O)N1CCN(CC(=O)NCc2ccc(N(C)C)cc2)CC1	295934116	KLSKIVSJCFKYCQ-UHFFFAOYSA-N	369.491	-0.549	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N(C)CCC(=O)O)cc2)CC1	1331076001	YWROHAZVQZDCOZ-UHFFFAOYSA-N	362.430	-0.012	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NCCn3cncn3)cc2)CC1	1331623479	RHDUMYABBJZYDN-UHFFFAOYSA-N	371.445	-0.538	10	20	FBCD	
CONC(=O)CNC(=O)C(=O)N[C@@H](C)Cc1ccc(N(C)C)cc1C	1334308607	MXAIZSGRMJLZJU-LBPRGKRZSA-N	350.419	-0.098	10	20	FBCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)[C@@H]1CCS(=O)(=O)N1	846267475	TXZDEYGJLYYJLP-LBPRGKRZSA-N	356.400	-0.024	10	20	FBCD	
COc1ccc(-n2nnnc2CN2CC[C@H](NC(=O)C(N)=O)[C@H]2C)cc1	1088831442	MATGZCIXVQUHLP-MFKMUULPSA-N	359.390	-0.765	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNC[C@]3(O)CCOC3)CC2)cc1	1262570428	VVVZXUZLMPCGCV-IEBWSBKVSA-N	365.474	-0.081	10	20	FBCD	
COC(=O)CN(CC(=O)O)C(=O)c1cc(NS(C)(=O)=O)ccc1O	1598860679	GLROPCQHOSSNBU-UHFFFAOYSA-N	360.344	-0.537	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CN3CCN2CC3)c1	269645191	TZSSSLSWHCERCE-GFCCVEGCSA-N	354.432	-0.507	10	20	FBCD	
COCCNC(=O)CN1CCN(C(=O)c2ccc(C)c(O)c2O)CC1	272679856	RYZDIXGIPMGSPJ-UHFFFAOYSA-N	351.403	-0.073	10	20	FBCD	
O=C(CN1C[C@H](O)C[C@H]1CO)NCc1ccc(N2CCOCC2)c(F)c1	274154742	JIJSETQIYDSAOL-LSDHHAIUSA-N	367.421	-0.294	10	20	FBCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NCCn1cncn1	1117303328	PFFCQMYYMKQZOZ-UHFFFAOYSA-N	372.429	-0.111	10	20	FBCD	
NC(=O)[C@H]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)O1	1347080112	ISGQWJWBKIOHJS-JKSUJKDBSA-N	372.425	-0.172	10	20	FBCD	
COC(=O)NCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	919749887	DBKMIKCRHOULRK-UHFFFAOYSA-N	355.416	-0.106	10	20	FBCD	
CN(C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1)[C@H]1CCNC1=O	1328300188	XFNKQJKVONMEMZ-INIZCTEOSA-N	374.441	-0.389	10	20	FBCD	
CS(=O)(=O)NCCNC(=O)C(=O)NCCCSc1nccs1	1117321405	WVEWZKQFKLZECP-UHFFFAOYSA-N	366.490	-0.593	10	20	FBCD	
COC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)/C=C/c1ccc(O)c(O)c1	275253738	IVPKSZUJDAWCRI-TZNOJPMFSA-N	355.368	-0.090	10	20	FBCD	
COc1ccc(N2CCN(CCNC(=O)N(CCN)CCO)CC2)cc1	841749896	JMEZWZYOMWORNF-UHFFFAOYSA-N	365.478	-0.220	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCC(=O)N1CCOCC1	1328760576	MTIMAHLFHDLSDM-UHFFFAOYSA-N	362.430	-0.314	10	20	FBCD	
O=C(c1c[nH]c(=O)cn1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843250274	GQMFYXWZHOJORI-UHFFFAOYSA-N	371.353	-0.293	10	20	FBCD	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CN(CCOCCO)C[C@@H]2O)cc1	1221127747	CVARHGRTUMHFKV-KGLIPLIRSA-N	365.390	-0.367	10	20	FBCD	
COc1ccc(N2CCN(CCNC(=O)C(=O)N[C@H](C)CN)CC2)cc1	842152562	JOLVTGLJHYMBHC-CQSZACIVSA-N	363.462	-0.603	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CCC(O)(CO)CC2)cc1F	1334034125	YPIZYDYCYKDGNX-UHFFFAOYSA-N	353.394	-0.146	10	20	FBCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)N1CCNC(=O)C1	297768356	HCMNVZSYWIJWNM-UHFFFAOYSA-N	360.414	-0.560	10	20	FBCD	
NC(=O)Cn1cc(C(=O)NCc2ccc(N3CCC(CO)CC3)cc2)nn1	742690576	PZPJATACDIDEGK-UHFFFAOYSA-N	372.429	-0.098	10	20	FBCD	
O=C1CN(C(=O)C2=CC=CN3CCS(=O)(=O)N=C23)c2ccncc2N1	742224843	JMDONHLEJAFTOJ-UHFFFAOYSA-N	359.367	-0.136	10	20	FBCD	
NC(=O)C1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1	1328757148	PIUKUEYTOXIYDM-UHFFFAOYSA-N	351.428	-0.197	10	20	FBCD	
CN1CCN(CCN(CC(=O)O)Cc2cc3c(cc2O)OC[C@H]3O)CC1	1610136476	JFPRJTQGBVGVSD-MRXNPFEDSA-N	365.430	-0.048	10	20	FBCD	
N=C1NCCN1CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843249685	LWAYGVLKEKCESM-UHFFFAOYSA-N	374.401	-0.850	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(COC(=O)C3=NNC(=O)CC3)nc12	918797506	UWMWKIRNRLLHBV-UHFFFAOYSA-N	361.314	-0.079	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCN(CC(=O)NC2CC2)CC1	1324799444	COUJIFUQZIHJLI-UHFFFAOYSA-N	374.441	-0.227	10	20	FBCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@@H](C)C(N)=O)CC2)cc1	778222130	ONUDTGJMHUBSEV-GWJCSSMESA-N	360.414	-0.110	10	20	FBCD	
NS(=O)(=O)c1cnn(CCC(=O)OCC(=O)c2ccc(O)c(O)c2)c1	783338406	WYKMDZNERXKFDL-UHFFFAOYSA-N	369.355	-0.242	10	20	FBCD	
CCN1CCN(CC(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)C(=O)C1=O	832279533	JJOZRMWRCOXDFV-OAHLLOKOSA-N	361.446	-0.441	10	20	FBCD	
C[C@@H]1CC(=O)NCCN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	788312082	CGYIDBBXOCKTGE-CQSZACIVSA-N	374.441	-0.124	10	20	FBCD	
CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)OCC(=O)C(C)=O)cc1	808489181	HIUVGEGWPOQQNU-UHFFFAOYSA-N	370.383	-0.033	10	20	FBCD	
O=C(C(O)O)N1CC2(CCCN2C(=O)/C=C/c2ccc(O)c(O)c2O)C1	1847035360	XJJMCRXUIZLFOS-HWKANZROSA-N	364.354	-0.669	10	20	FBCD	
NC(=O)C1(NCC(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1	183832041	YNFJUWOGEADRHQ-UHFFFAOYSA-N	350.394	-0.114	10	20	FBCD	
CNC(=O)[C@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1084108957	NRHJEXFKRKZVDE-BIMULSAOSA-N	362.390	-0.242	10	20	FBCD	
CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CCO1	806280407	CRBIKEFTKJDKCH-SNVBAGLBSA-N	372.472	-0.285	10	20	FBCD	
O=C(CN1CCN(Cc2ccccc2O)CC1)N[C@@H]1CCS(=O)(=O)C1	770510894	UNRVFRWRDIDKIQ-OAHLLOKOSA-N	367.471	-0.187	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)NCCNS(C)(=O)=O)cc2)CC1	883099785	GLGDSEZGPHKEIN-UHFFFAOYSA-N	369.491	-0.213	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NC[C@H](N)C3CC3)cc2)CC1	884678941	PUWXJXRGGZBLBF-KRWDZBQOSA-N	359.474	-0.092	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CCS(=O)(=O)C2)c1	1324563205	FVKMOCCFTMUZEY-VIFPVBQESA-N	362.429	-0.072	10	20	FBCD	
CCNc1nc(NCC)n2c(SCC(=O)Nc3nnn[nH]3)nnc2n1	263992889	HBXAPIQVNWLJHT-UHFFFAOYSA-N	364.399	-0.373	10	20	FBCD	
O=C(CN1C[C@@H](O)C[C@H]1CO)NCc1ccc(N2CCOCC2)c(F)c1	274154738	JIJSETQIYDSAOL-GJZGRUSLSA-N	367.421	-0.294	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3CCOC[C@H]3O)CC2)cc1	863583750	GDYGIXFMLQPPHV-BHIYHBOVSA-N	365.474	-0.083	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCNS(C)(=O)=O	1324402597	AVQXIFIELFSHEH-UHFFFAOYSA-N	356.448	-0.624	10	20	FBCD	
CCOC(=O)[C@@H](N)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	852861025	NNCAIGXGXDCDQB-ZFWWWQNUSA-N	362.430	-0.105	10	20	FBCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCN1C(=O)CNC1=O	1323032394	ABKPUBXIWUJHEN-UHFFFAOYSA-N	362.386	-0.201	10	20	FBCD	
CN1C(=O)CC[C@H](NC(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)C1=O	1345689169	TXNCVKNSELJVMO-LBPRGKRZSA-N	364.377	-0.229	10	20	FBCD	
CCC(=O)C(=O)N1CC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2	1783088235	BTPPAJTWAXHJTR-KRWDZBQOSA-N	363.370	-0.085	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN(CCO)C[C@@H](C)O)CC2)cc1	810040002	LNOBNIBGLKWDAI-AEFFLSMTSA-N	367.490	-0.147	10	20	FBCD	
C[C@@H]1NC(=O)N(CCOC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1=O	837464867	FIYIGNGGTGJGPL-QMMMGPOBSA-N	371.371	-0.139	10	20	FBCD	
COc1ccc(-n2nnnc2CN2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1	1030967481	XYLMDMOYIYRZFZ-KGLIPLIRSA-N	371.401	-0.907	10	20	FBCD	
CC1(C)CN(C(=O)C(=O)C(=O)C(=O)N2CC[C@@H](c3cccnc3)C2)CCN1	1332339121	KMULSMNHTNXYMN-CQSZACIVSA-N	372.425	-0.254	10	20	FBCD	
C[S@](=O)CCNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	1327966532	DFNLZBYEBRMXIW-VWLOTQADSA-N	367.471	-0.241	10	20	FBCD	
COCCN1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1=O	282566065	ZALQIWRLDHANAV-UHFFFAOYSA-N	357.388	-0.348	10	20	FBCD	
O=C1COc2cc([N+](=O)[O-])c(NC=C3C(=O)NC(=S)NC3=O)cc2N1	730996651	VFLUTBLJXHNXGA-UHFFFAOYSA-N	363.311	-0.248	10	20	FBCD	
Cc1nnc(CNC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)n1C	1325985275	HAOGRZBRPUVMQR-UHFFFAOYSA-N	372.429	-0.107	10	20	FBCD	
COCCN1C(=O)/C(=C\NNc2nccnc2OC)C(=O)NC1=S	273923378	JEDYGJZAXPHZLP-FPLPWBNLSA-N	352.376	-0.825	10	20	FBCD	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CN([C@@H]3CCNC3=O)C[C@@H]2O)cc1	1084108812	GOEFKJNGVVKQLT-UPJWGTAASA-N	360.374	-0.488	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CCN3C(=O)NC[C@@H]3C2)cc1F	1257535936	MALBFIKVTACLAW-GFCCVEGCSA-N	363.393	-0.256	10	20	FBCD	
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H](C)O)CC2)cc1	855581614	HBKZPJYWNZFVRP-ZDUSSCGKSA-N	371.459	-0.356	10	20	FBCD	
CC(=O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21	1786346086	LIJSCSMHJYIRDG-DRZSPHRISA-N	363.370	-0.325	10	20	FBCD	
O=C(CN1C[C@H](O)[C@H](O)C1)NCc1ccc(N2CCOCC2)c(F)c1	278601201	DWLCAIQRRZHHNL-IYBDPMFKSA-N	353.394	-0.684	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN[C@@](C)(CO)C(=O)O)CC2)cc1	1607269423	LBUXDNGCFBMZHC-KRWDZBQOSA-N	351.403	-0.231	10	20	FBCD	
O=C1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CN1	1843248719	HIBMKSKIVMPZCP-NSHDSACASA-N	374.397	-0.164	10	20	FBCD	
O=C1C[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CN1	1845997545	URYLYLUZUQVTIT-NSHDSACASA-N	360.370	-0.554	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@H](O)C[C@@H]3C(=O)OC)nc12	276649868	RTISGWQLLIXCEW-ZYHUDNBSSA-N	364.358	-0.280	10	20	FBCD	
COC(=O)[C@@H](O)CNC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843088078	LYRKYHCMDAWPDW-RDJZCZTQSA-N	367.446	-0.698	10	20	FBCD	
COc1ccc(CNC(=O)CNS(=O)(=O)c2cnn(C)c2)c(O)c1	794378473	IJYSFEPMRPXTAS-UHFFFAOYSA-N	354.388	-0.271	10	20	FBCD	
CONC(=O)CNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	905586300	BYHZGUDLJYEUIM-OAHLLOKOSA-N	352.435	-0.555	10	20	FBCD	
COc1ccc(CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c(O)c1	794381692	RCTGOYCDRMNILN-UHFFFAOYSA-N	373.369	-0.536	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCS(=O)(=O)C1	1337879955	GLZWORFRBGEHRK-ZDUSSCGKSA-N	353.444	-0.019	10	20	FBCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1C[C@@H](O)[C@H](CO)C1	817862421	YIITZUUUEYJVNT-JLJPHGGASA-N	363.458	-0.080	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)[C@@H]3CCS(=O)(=O)N3)cc2)CC1	881854314	BDUWVKQDDDINPG-HNNXBMFYSA-N	352.460	-0.254	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)N(C)CCS(N)(=O)=O)cc2)CC1	889659491	XBVCROQGONVMIS-UHFFFAOYSA-N	369.491	-0.132	10	20	FBCD	
CN1CCN(C2CN(C(=O)c3cc(NS(C)(=O)=O)ccc3O)C2)CC1	1332070925	YONMXQHKNSRJDQ-UHFFFAOYSA-N	368.459	-0.165	10	20	FBCD	
CN1CCC(O)(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	267137802	GSJAZVFDWCYYFB-UHFFFAOYSA-N	357.432	-0.050	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN(CCO)C[C@@H](C)O)CC2)cc1	810040004	LNOBNIBGLKWDAI-SJLPKXTDSA-N	367.490	-0.147	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)CN3CC(=O)N(C)C3=O)cc2)CC1	881854514	DZEIQCJCUCBBLZ-UHFFFAOYSA-N	359.430	-0.051	10	20	FBCD	
CC[C@@H](C(N)=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1084108923	LTVZVROAEVXQTA-AGIUHOORSA-N	362.390	-0.112	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCN(S(C)(=O)=O)C2)cc1	1118278728	JZSCCZOZDIQYST-CYBMUJFWSA-N	368.459	-0.481	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)NC[C@H](F)C(=O)O	1601539800	GMGKZNNBFAEMSS-LBPRGKRZSA-N	371.340	-0.183	10	20	FBCD	
CS(=O)(=O)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O	299084322	KYDXICWSLIDODR-UHFFFAOYSA-N	350.418	-0.072	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCOC[C@H]3C(=O)OC)nc12	267791090	JNVCJKFVFUGBEW-LBPRGKRZSA-N	364.358	-0.015	10	20	FBCD	
C[C@H](CC(N)=O)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2	1841655451	PGHSRCCBYAVENR-SNVBAGLBSA-N	362.386	-0.179	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCN4C(=O)NC(=O)[C@@H]4C3)nc12	749026394	TZKYWHINQGEGLG-NSHDSACASA-N	374.357	-0.652	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNCC3(CO)COC3)CC2)cc1	843075351	ICOCCEOJMNWOGQ-KRWDZBQOSA-N	365.474	-0.223	10	20	FBCD	
NC(=O)N[C@H](CO)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	1319631729	RQPIRENPMWQIOK-CYBMUJFWSA-N	354.382	-0.568	10	20	FBCD	
CCONC(=O)CNC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	1336831247	KZIYATNVWNHNMR-INIZCTEOSA-N	366.462	-0.165	10	20	FBCD	
C[C@@H](NC=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2	1800092273	YEUSNFYFHJQUQV-FOUMNBMASA-N	362.386	-0.121	10	20	FBCD	
CC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1	1835199325	ILKPUAGPXNFPLL-INIZCTEOSA-N	351.359	-0.417	10	20	FBCD	
NC(=O)NCCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1351088886	ZBZZJLLQSGWIHK-UHFFFAOYSA-N	354.432	-0.404	10	20	FBCD	
COC[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1)OC	1325610751	IKTNZTSQUHHCEB-MRXNPFEDSA-N	365.430	-0.083	10	20	FBCD	
NCC(=O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1	1843441741	CAGGNDCQKHXBKL-UHFFFAOYSA-N	355.398	-0.059	10	20	FBCD	
CN(CCO)C(=O)C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	793722450	LHOXGCMGHOMGDC-AWEZNQCLSA-N	362.430	-0.545	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H](CN)C3)cc2)CC1	885210098	JMFDCZWASCJHJS-MRXNPFEDSA-N	359.474	-0.138	10	20	FBCD	
CN1CCNC[C@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	1340185113	RLZBEZGKDUWOTJ-RDJZCZTQSA-N	359.474	-0.092	10	20	FBCD	
CN1C(=O)CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1=O	1345700702	UOWOMCZPINCKCX-OAHLLOKOSA-N	370.409	-0.057	10	20	FBCD	
C[C@@H](CC(N)=O)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843249008	NKZATOQQQNMKAY-JTQLQIEISA-N	362.386	-0.179	10	20	FBCD	
O=C(N[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)c1cccc(O)c1O	280656111	OCQXAUDHRJDWRP-VXGBXAGGSA-N	356.400	-0.675	10	20	FBCD	
CS(=O)(=O)NCCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	851944962	YJXVYECEYMFUJZ-UHFFFAOYSA-N	370.475	-0.004	10	20	FBCD	
CS(=O)(=O)CCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1328415315	GHEYNCWRCGNFIZ-UHFFFAOYSA-N	374.484	-0.028	10	20	FBCD	
O=C1C[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CN1	1843250996	LSUSCGHITPMLJW-LLVKDONJSA-N	360.370	-0.554	10	20	FBCD	
CNS(=O)(=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O	275920146	UDFQCVCZIGVAEG-UHFFFAOYSA-N	351.406	-0.957	10	20	FBCD	
CS(=O)(=O)N1CCN(CCNC(=O)NCc2ccccc2O)CC1	727240581	RAPYVCXIHBBZMF-UHFFFAOYSA-N	356.448	-0.231	10	20	FBCD	
O=C(c1cccc(O)c1O)N1CCN(S(=O)(=O)c2cc[nH]n2)CC1	834397431	PNNIYQMHQSTKJX-UHFFFAOYSA-N	352.372	-0.032	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(CC(=O)O)CC2)c1	1599761561	RXAGRDQOMPCWFD-UHFFFAOYSA-N	357.388	-0.394	10	20	FBCD	
O=C1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CCCN1	1336248746	QXNNNQSYSODFFT-UHFFFAOYSA-N	360.414	-0.512	10	20	FBCD	
O=C(COC(=O)c1cccc(O)c1O)NC(=O)N[C@H]1CCS(=O)(=O)C1	758557392	IREKAWOKBOTPDE-QMMMGPOBSA-N	372.355	-0.733	10	20	FBCD	
NC(=O)N[C@H](CO)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	1323239999	ZFSYFXGDRNYPIK-OAHLLOKOSA-N	350.419	-0.459	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@H](O)C[C@H]3C(=O)O)nc12	737154726	KAAIZBICRXMZFG-KOLCDFICSA-N	350.331	-0.369	10	20	FBCD	
NC1(CNC(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CC1	911247747	QIUFJOLMKYXTOH-UHFFFAOYSA-N	350.394	-0.114	10	20	FBCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1	1320031222	OFKNAINDJQTJKM-DTRQGZQOSA-N	368.411	-0.079	10	20	FBCD	
CS(=O)(=O)N1CC[C@H](NC(=O)C(=O)NCCc2ccc(N)cc2)C1	1346283068	REONBNDNEXDAQT-ZDUSSCGKSA-N	354.432	-0.922	10	20	FBCD	
O=C(C1=NN(c2ccccc2)C(=O)C1)N1CC2(CCCN2C(=O)C(O)O)C1	1841235370	PNVMPZXAEPLOHR-UHFFFAOYSA-N	372.381	-0.707	10	20	FBCD	
CS(=O)(=O)CC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843249648	HLOWQPHDGSKVPU-UHFFFAOYSA-N	369.399	-0.646	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)CCNS(C)(=O)=O)cc2)CC1	881850102	NRTUIVRMQDDZQZ-UHFFFAOYSA-N	354.476	-0.006	10	20	FBCD	
CNS(=O)(=O)CCNC(=O)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1	1346254373	NGQFMBCHNVLHKP-NSHDSACASA-N	356.448	-0.405	10	20	FBCD	
COc1ccc(N2CCN(CCNC(=O)N3CCNC(=O)C3)CC2)cc1	299337560	LOAXTMWTBALHKZ-UHFFFAOYSA-N	361.446	-0.041	10	20	FBCD	
COCCNC(=O)C1(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	857536296	OSIAGCGSQBWHPU-UHFFFAOYSA-N	371.415	-0.211	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N(C)[C@H]3CCNC3=O)C2)cc1	1349036227	HLUPGFHXOFMTPA-CJNGLKHVSA-N	374.441	-0.015	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN2C(=O)C(=O)NC[C@@H]2C1	268976641	CAAKRPHLXKIDMV-MRXNPFEDSA-N	373.457	-0.646	10	20	FBCD	
CO[C@H](CN)CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	827389717	NETUZTIJWIAWDI-HNNXBMFYSA-N	355.460	-0.099	10	20	FBCD	
CONC(=O)CNC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	905586297	BYHZGUDLJYEUIM-HNNXBMFYSA-N	352.435	-0.555	10	20	FBCD	
CNC(=O)Cn1cnc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2C)n1	1254472042	VPUOEZWKDXMQMS-UHFFFAOYSA-N	373.417	-0.347	10	20	FBCD	
Cc1ccc(O)c(CNS(=O)(=O)N2CCN(S(C)(=O)=O)CC2)c1	1261797110	XFBQRBYPEGJTEJ-UHFFFAOYSA-N	363.461	-0.388	10	20	FBCD	
CN(C)C(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1	1796600363	CBNZYVQQADYBPK-ZSBIGDGJSA-N	362.386	-0.167	10	20	FBCD	
CC(=O)C(=O)COC(=O)c1ccc(-n2ncc(-c3nn[nH]n3)c2N)cc1	1588782264	RELGFUYARPSXRQ-UHFFFAOYSA-N	355.314	-0.051	10	20	FBCD	
CC(C)CN1C(=O)/C(=C/Nc2n[nH]cc2-c2nn[nH]n2)C(=O)NC1=S	1609095776	OHANQQRJNVREMC-FPYGCLRLSA-N	361.391	-0.215	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cnco1	1793566923	CMIBSQZMPOYLJN-QHBPRCKVSA-N	374.353	-0.002	10	20	FBCD	
COc1ccc(O)c(CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1	276144680	OANIAFSLTIIGNZ-UHFFFAOYSA-N	361.402	-0.137	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NCc3nnn(C)n3)C2)cc1	1261447273	UFTUINJOAIGNCW-LBPRGKRZSA-N	373.417	-0.522	10	20	FBCD	
CCNc1nc(NCC)n2c(SCC(=O)NC[C@H](C)O)nnc2n1	271088240	QXYMPMJZJJOTLS-QMMMGPOBSA-N	354.440	-0.028	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCC(O)(CO)CC3)nc12	852499840	ZWIBOXAVYLHXIQ-UHFFFAOYSA-N	350.375	-0.069	10	20	FBCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc1	852791584	JTIJVOBZBLBODD-ZFWWWQNUSA-N	369.491	-0.216	10	20	FBCD	
CNC(=O)Cn1cnc(NC(=O)C(=O)N(C)Cc2ccc(N(C)C)cc2)n1	1323672138	LUBWXHGXBHXXMS-UHFFFAOYSA-N	373.417	-0.313	10	20	FBCD	
CCS(=O)(=O)N1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)CC1	1334999086	AQJRKYIJPZYGCQ-UHFFFAOYSA-N	369.443	-0.156	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2cnn(CC(N)=O)c2)c1	919815698	USMPLNVGNHHNJV-UHFFFAOYSA-N	353.360	-0.302	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCN(CC(N)=O)CC3)nc12	264653308	XLBVGLARRLKMGL-UHFFFAOYSA-N	362.390	-0.786	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1	748027962	VBLODTXAUYRWMP-UHFFFAOYSA-N	366.399	-0.244	10	20	FBCD	
COCCCS(=O)(=O)NCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1	832267630	YAQOXOHWZZOIOF-HNNXBMFYSA-N	372.491	-0.176	10	20	FBCD	
COc1ccc(N2CCN(CCNC(=O)NC(C)(CO)CO)CC2)cc1	844933345	VOSHYCLBXFCMBO-UHFFFAOYSA-N	366.462	-0.140	10	20	FBCD	
CC(=O)N[C@@H](CC(=O)N(C)Cc1ccc(N2CCOCC2)cc1)C(N)=O	1318708929	MSLHRRWQXWRJOI-INIZCTEOSA-N	362.430	-0.138	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCN2C(=O)NC(=O)[C@@H]2C1	1325557419	UGHFYMOAUUSJPG-AWEZNQCLSA-N	373.413	-0.526	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N[C@H](CO)CN2CCCC2)c1	816626056	TWGOYDLJYHBSFP-LBPRGKRZSA-N	357.432	-0.050	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NCCN2CCNCC2)cc1F	842149092	VXFTZIPLKXHVTR-UHFFFAOYSA-N	351.426	-0.471	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCN(C(C)(C)C(N)=O)CC1	1328337073	KTIFEVNMZQAQBS-UHFFFAOYSA-N	362.430	-0.241	10	20	FBCD	
CCN(C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1)[C@H]1CCNC1	1332378116	VNGPRJHSKLBOBD-GJZGRUSLSA-N	372.425	-0.254	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)cc1	1344852756	UXVGLGSBRHBEBN-UHFFFAOYSA-N	370.475	-0.187	10	20	FBCD	
C[C@@H]1C(=O)NCCN1C(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	298693058	NFFRTQXLFJZFGS-CQSZACIVSA-N	374.441	-0.172	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3CC(=O)N(C)C3)CC2)cc1	818994682	IYMSMPIBTDHACM-WBVHZDCISA-N	362.474	-0.002	10	20	FBCD	
C[C@@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	830628679	UTFSBBMDKFDSOC-CYBMUJFWSA-N	374.441	-0.389	10	20	FBCD	
O=C(NCc1ccc(O)c(O)c1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	1325022793	HSDCFWKRINAGMG-NWDGAFQWSA-N	368.411	-0.250	10	20	FBCD	
Cn1cc([C@@H](CO)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1	272313126	IKBHIWNIPCJMQQ-GFCCVEGCSA-N	354.388	-0.039	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN3CCNC(=O)[C@H]3C)CC2)cc1	779224090	YGFNSAGJUPZAAO-NVXWUHKLSA-N	362.474	-0.002	10	20	FBCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)C[C@H](NC(C)=O)C(N)=O	819695972	GLBLKTCNULFQLN-ZDUSSCGKSA-N	365.386	-0.336	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCCOCCS(C)(=O)=O	1117490151	HWIWQMJJTVRUMA-UHFFFAOYSA-N	358.416	-0.472	10	20	FBCD	
CS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	788395788	JPFZDBHICHGPNK-UHFFFAOYSA-N	351.428	-0.160	10	20	FBCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1CNCCO1	827390336	QJHSUMVHAFHKKM-OAHLLOKOSA-N	353.444	-0.474	10	20	FBCD	
CCNc1nc(NCC)n2c(SCC(=O)Nn3cnnc3)nnc2n1	272210043	ITMBCCWDCHHLBL-UHFFFAOYSA-N	363.411	-0.163	10	20	FBCD	
O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)c2cccc(O)c2O)CC1	790557219	YOFOEISYIDQVOL-UHFFFAOYSA-N	361.354	-0.469	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)NC[C@H]2CNCCO2)cc1	846343701	OBKSIHNNGDLICB-MRXNPFEDSA-N	364.446	-0.306	10	20	FBCD	
CCNc1nc(NCC)n2c(SCC(=O)N[C@@H](C)C(N)=O)nnc2n1	54134388	TZGADHZGMUUDIQ-ZETCQYMHSA-N	367.439	-0.535	10	20	FBCD	
COC(=O)[C@]1(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCOC1	271363874	IMYGBKHINQRVPE-AWEZNQCLSA-N	358.372	-0.174	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3CCN(C)C[C@H]3CO)CC2)cc1	879003102	CBEIOEYZAUOXCS-KRWDZBQOSA-N	362.474	-0.048	10	20	FBCD	
Cn1cnn(CC(=O)NCc2ccc(N3CCC[C@H](C(N)=O)C3)cc2)c1=O	778637559	ITRMOZSUYOZFMK-AWEZNQCLSA-N	372.429	-0.400	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1CCS(=O)(=O)N1	845237655	VFCZVDQQBBLNIT-ZDUSSCGKSA-N	357.407	-0.030	10	20	FBCD	
Nc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)C3CC3)CC2)cc1	861509501	LYKFUNFLGPEGAY-UHFFFAOYSA-N	352.416	-0.156	10	20	FBCD	
O=C(c1cccc(O)c1O)N1CCN([C@@H]2CS(=O)(=O)C[C@H]2O)CC1	790619767	ZGJZDPNHTYYRIQ-DGCLKSJQSA-N	356.400	-0.987	10	20	FBCD	
CC(C)NS(=O)(=O)NCCNC(=O)C(=O)N(C)Cc1ccccc1O	1324123412	QVBFYLQQLFRKPT-UHFFFAOYSA-N	372.447	-0.701	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnc[nH]1)C2)c1cc(O)nc(O)c1	1796137332	HTROLCIKNRVRPX-QHBPRCKVSA-N	373.369	-0.267	10	20	FBCD	
CC(=O)NCCNC(=O)CCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	843299616	YKOUNASMBDHRMF-MRXNPFEDSA-N	363.462	-0.099	10	20	FBCD	
Cn1nncc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843249213	KDIVDULSJSLQOE-UHFFFAOYSA-N	358.358	-0.248	10	20	FBCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CNS(=O)(=O)c1cn(C)cn1	274980812	XINYXABTGMAGDJ-SNVBAGLBSA-N	368.415	-0.143	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCNC(=O)[C@@H]1CC(=O)O	737476173	FOVVOTGPMWBXJA-HNNXBMFYSA-N	362.430	-0.014	10	20	FBCD	
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCn2cncn2)N(C)C)cc1	1335496269	QSKMFXVYDOQQRP-INIZCTEOSA-N	373.461	-0.121	10	20	FBCD	
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2cn(C)nn2)N(C)C)cc1	1354684822	BTUXYYQZGUDETK-MRXNPFEDSA-N	373.461	-0.084	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@](C)(CO)C(=O)O)CC2)cc1	1607270805	RAYCBYIOVKZYHD-MAUKXSAKSA-N	367.446	-0.397	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(N3CCOCC3)C2)c1	911646049	QNLZWKVTVWCUMS-UHFFFAOYSA-N	355.416	-0.080	10	20	FBCD	
O=C(C(=O)C(=O)N1C[C@@H]2CNC[C@@H]2C1)C(=O)N1CC[C@H](c2cccnc2)C1	1118241737	MCQHIOBMGNYEBN-SOUVJXGZSA-N	370.409	-0.787	10	20	FBCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1cc(S(N)(=O)=O)cn1	798338524	VMDXBWYZMUCWPH-SECBINFHSA-N	354.388	-0.311	10	20	FBCD	
CCNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1C	1341953922	NDQCFQQTINWGDL-UHFFFAOYSA-N	370.475	-0.267	10	20	FBCD	
CN1CCNC[C@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1521859635	ZUEHVCDTAOWGSK-INIZCTEOSA-N	366.487	-0.559	10	20	FBCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c1	781974110	ZTKRAKJUJNHIPZ-RKDXNWHRSA-N	359.404	-0.629	10	20	FBCD	
CN(C)C(=O)Cn1cc(C(=O)NC[C@H](N)c2ccc(N(C)C)cc2)nn1	832278173	BHFQLPQGSPUAAS-AWEZNQCLSA-N	359.434	-0.138	10	20	FBCD	
CN1CCN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)[C@@H](CN)C1	842149835	HINJHLPCZNMVIK-INIZCTEOSA-N	359.474	-0.214	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)NCCS(C)(=O)=O)cc1	846722108	QRZMHHWKNFAZGD-UHFFFAOYSA-N	371.459	-0.249	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)N3C[C@@H]4C[C@H]3CN4)CC2)c(OC)c1	868400028	JKCCYWWRGZITPD-KBPBESRZSA-N	374.441	-0.075	10	20	FBCD	
NC(=O)[C@@H]1C[C@@H]1C(=O)NCCC1=CCN(c2ccc3nnnn3n2)CC1	1089866723	QPFZXJOQRFRNCB-NEPJUHHUSA-N	356.390	-0.717	10	20	FBCD	
Cn1nnc(CNC(=O)C(=O)N(Cc2ccccc2O)C[C@H]2CCCO2)n1	1326790574	YLBSZCPUAXKVEQ-CYBMUJFWSA-N	374.401	-0.260	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NC[C@H]3CNC(=O)C3)C2)cc1	1326253166	QHBRCPNNKCFTAS-UONOGXRCSA-N	374.441	-0.110	10	20	FBCD	
CCONC(=O)CNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	1326620497	TVAZHPFHWIRITF-UHFFFAOYSA-N	364.402	-0.677	10	20	FBCD	
CCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2	1795113866	OZAUAUYHAOMQIV-WDAIWFPHSA-N	371.484	-0.154	10	20	FBCD	
CC(C)CN1C(=O)/C(=C/NCCCN2CCN(C)CC2)C(=O)NC1=S	730971038	REDMFAJXSQXRCT-SDNWHVSQSA-N	367.519	-0.003	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[C@@H](N)C3)cc2)CC1	1350058677	QWHAYZXUCDJPOP-IYBDPMFKSA-N	359.474	-0.092	10	20	FBCD	
CCN(C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1)[C@H]1CCNC1	1332378115	VNGPRJHSKLBOBD-CABCVRRESA-N	372.425	-0.254	10	20	FBCD	
CNC(=O)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1	1342118814	NUEJVBPCTHPNLW-LBPRGKRZSA-N	357.388	-0.649	10	20	FBCD	
O=C(N[C@H]1CC(=O)N(CCN2CCOCC2)C1)c1c(F)ccc(O)c1O	276549742	KEGDITNHCFKTEI-NSHDSACASA-N	367.377	-0.100	10	20	FBCD	
COCC(=O)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	299070725	FYNTUAQPDQYGBN-UHFFFAOYSA-N	371.415	-0.306	10	20	FBCD	
O=C1CC(C(=O)N2[C@H]3CC[C@@H]2C[C@H](NC(=O)c2cc(O)nc(O)c2)C3)=NN1	1798370935	LUDHMUFAFDJWRW-JGPRNRPPSA-N	373.369	-0.380	10	20	FBCD	
O=C1CN(CCNC(=O)NCc2ccc(N3CCOCC3)cc2)CCN1	273012549	SIUYVXBTMHXVHN-UHFFFAOYSA-N	361.446	-0.246	10	20	FBCD	
COc1ccc(N2CCN(CCCNC(=O)CNC(=O)CN)CC2)cc1	274406277	HZMQHJAOAAFEQW-UHFFFAOYSA-N	363.462	-0.602	10	20	FBCD	
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCCCON)N(C)C)cc1	911515953	JCGGWVHBDQCVME-OAHLLOKOSA-N	351.451	-0.132	10	20	FBCD	
COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	1328425861	OYVMYSYJTZTVOL-CHWSQXEVSA-N	350.371	-0.267	10	20	FBCD	
CCNC(=O)CNC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	1346236322	DWXGTOIJTQCHOX-INIZCTEOSA-N	350.463	-0.096	10	20	FBCD	
Cc1cc(N2CC=C(CCNC(=O)C(N)=O)CC2)c(-c2nn[nH]n2)cn1	1605692273	WJJNCSIZISVPON-UHFFFAOYSA-N	356.390	-0.302	10	20	FBCD	
O=C(NC1CC1)C(=O)N1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768440076	RMUBJBIQSKKWQN-HNNXBMFYSA-N	361.398	-0.259	10	20	FBCD	
CCN1CCN(c2ccc(CNC(=O)C(=O)NCCN)cc2F)CC1	842214617	NJAWJWMQVDUVFU-UHFFFAOYSA-N	351.426	-0.341	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N=c3nc[nH]n3C)cc2)CC1	1331325757	ODAALAVZHKRNCD-UHFFFAOYSA-N	357.418	-0.756	10	20	FBCD	
C[C@H](NC(=O)Cn1cc(-c2nn[nH]n2)c(O)nc1=O)c1ccccc1O	1580435676	WYYACOXKDODZLU-QMMMGPOBSA-N	357.330	-0.288	10	20	FBCD	
O=C1CC(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)=NN1	1844223321	UTXFAQZMDQNRHX-UHFFFAOYSA-N	359.342	-0.814	10	20	FBCD	
O=C(CN(CCO)CCO)NCc1ccc(N2CCOCC2)c(F)c1	743846656	TWTFVPFSCJAZFB-UHFFFAOYSA-N	355.410	-0.435	10	20	FBCD	
NS(=O)(=O)CCNC(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	918214033	UEIFNLDRUOBLMI-UHFFFAOYSA-N	374.438	-0.126	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)NCC(=O)N3CCOCC3)ccc21	1257534682	AGYHIJGTKCSKSE-UHFFFAOYSA-N	374.441	-0.340	10	20	FBCD	
COC(=O)COc1ccc(N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1	1320170001	BJYTXUZUUMNHHY-LBPRGKRZSA-N	370.427	-0.022	10	20	FBCD	
CNC(=O)Cn1cnc(NC(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)n1	1320397094	DXASNNOQXNQTCN-LLVKDONJSA-N	373.417	-0.094	10	20	FBCD	
Cc1ccc(O)c(CNC(=O)CCn2cc(-c3nn[nH]n3)c(O)nc2=O)c1	1581209288	AALFRHKAGQJGPL-UHFFFAOYSA-N	371.357	-0.150	10	20	FBCD	
CNc1ccc(S(=O)(=O)NCC(=O)OCC(=O)C(C)=O)cc1[N+](=O)[O-]	808485686	UYUMUTKSFPJGOW-UHFFFAOYSA-N	373.343	-0.384	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)[C@@H]1C=CCN1)C2)c1cc(O)nc(O)c1	1796138324	VLIDXJCNTWHWFS-ZWUHOBOKSA-N	374.397	-0.776	10	20	FBCD	
Cn1nncc1C(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O	803306536	RSKGKAKZRCPCTP-UHFFFAOYSA-N	354.344	-0.068	10	20	FBCD	
CCNS(=O)(=O)CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	1323277902	ACGRZKVJSBWDSK-UHFFFAOYSA-N	370.475	-0.234	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@H]1CC[C@H](C(N)=O)O1	1324899435	QSXWBEPCUYUVCB-HUUCEWRRSA-N	362.430	-0.174	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3CCN(C)S3(=O)=O)CC2)cc1	842084568	GPCBMOAICCSBON-UHFFFAOYSA-N	368.459	-0.164	10	20	FBCD	
COc1ccc(O)c(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1	1591618051	ANIAQFHJOZXNDZ-UHFFFAOYSA-N	359.350	-0.328	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)NC[C@@H]2COCCN2)cc1	861803108	RWCXBALUHLAUIB-CQSZACIVSA-N	364.446	-0.306	10	20	FBCD	
NC(=O)N[C@@H](CO)C(=O)NCc1ccc(N2CCC(CO)CC2)cc1	1323239998	ZFSYFXGDRNYPIK-HNNXBMFYSA-N	350.419	-0.459	10	20	FBCD	
CNS(=O)(=O)CCNC(=O)C(=O)N(C)Cc1ccc(N(C)C)cc1	1326574998	YKOWFZHBNADKJR-UHFFFAOYSA-N	356.448	-0.624	10	20	FBCD	
CC(=O)N1CCN(c2ccc(CNC(=O)Cn3ncn(C)c3=O)cc2)CC1	786655775	IOPCLKPMHYKQJO-UHFFFAOYSA-N	372.429	-0.433	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H](CO)CN(C)C)CC2)cc1	843117461	QPSHTMGHIAWZSR-AEFFLSMTSA-N	366.506	-0.310	10	20	FBCD	
COc1ccc(N2CCN(C(=O)COC(=O)C3(CO)COC3)CC2)cc1	1116889173	GIEMTOGCCDEATB-UHFFFAOYSA-N	364.398	-0.104	10	20	FBCD	
C[C@@H](NC(=O)C(=O)NCC(=O)N1CCOCC1)c1ccc(N(C)C)cc1	1117305770	DKEQHNVZAAHBPV-CYBMUJFWSA-N	362.430	-0.095	10	20	FBCD	
CC(=O)NC[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1	1318579601	CYBGLIUJGCMYLP-GFCCVEGCSA-N	371.415	-0.259	10	20	FBCD	
CN1CCN(CCNC(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	271233574	VNNKOCAYQRFQSP-UHFFFAOYSA-N	356.448	-0.259	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN(C(=O)CO)CC2)c1	763236324	DDKIOJSLVLOMLS-UHFFFAOYSA-N	357.388	-0.960	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNCCn3ncnn3)CC2)cc1	1338491040	CYJLNAXYUYRWPD-MRXNPFEDSA-N	361.450	-0.546	10	20	FBCD	
CC(=O)NCC(=O)NCCC1=CCN(c2nccnc2-c2nn[nH]n2)CC1	1588846193	PFKUXWGMGUXRFK-UHFFFAOYSA-N	371.405	-0.564	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)CC2)cc1F	829869718	WWRVXYAHTMHKMX-BFYDXBDKSA-N	366.389	-0.104	10	20	FBCD	
O=C(NCCC1=CCN(c2ccnc(-c3nn[nH]n3)n2)CC1)c1cnn[nH]1	1593060168	MUYOCLCFFLHJGG-UHFFFAOYSA-N	367.377	-0.269	10	20	FBCD	
Cn1c(=O)c2c(ncn2CCC(=O)NCCc2ccc(N)cc2)n(C)c1=O	269151727	RTGXWACZMFZHLE-UHFFFAOYSA-N	370.413	-0.235	10	20	FBCD	
COc1cc(O)c(CN2CCN(C(=O)Cn3cnnn3)CC2)cc1OC	289821698	ODZZGTMPNODOME-UHFFFAOYSA-N	362.390	-0.260	10	20	FBCD	
Cn1c(NCCc2ccc(O)c(O)c2)c(-c2nn[nH]n2)c(=O)n(C)c1=O	822599533	DKRZPQIMBNEHRY-UHFFFAOYSA-N	359.346	-0.670	10	20	FBCD	
CN(C)C(=O)Cn1cc(C(=O)NC[C@@H](N)c2ccc(N(C)C)cc2)nn1	832278174	BHFQLPQGSPUAAS-CQSZACIVSA-N	359.434	-0.138	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN3C[C@H](O)[C@@H](O)C3)CC2)cc1	859455413	HMZZSXJNYLVNAN-NJAFHUGGSA-N	351.447	-0.785	10	20	FBCD	
O=C(O)/C=C\c1ccc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])c1	833194997	BWAASQZSMPJGKK-MORRKMRCSA-N	360.326	-0.160	10	20	FBCD	
NC(=O)NC1(C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)CC1	1118720468	DAGWUZWZDQOWAO-UHFFFAOYSA-N	366.443	-0.262	10	20	FBCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)c1n[nH]c(O)n1	1328661504	IYQYTOBJNHXLLW-UHFFFAOYSA-N	351.388	-0.325	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1CC[C@@H]2CNC[C@@H]21	842191746	MTSRHLOZWBDNAL-WBVHZDCISA-N	358.442	-0.040	10	20	FBCD	
Cc1cc(C(=O)NC[C@@H](O)C(N)=O)c(C)n1-c1ccc(-c2nn[nH]n2)cc1	1591924387	OQAFRQGTLRVTAW-CQSZACIVSA-N	369.385	-0.150	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@@]3(C(=O)O)CCOC3)nc12	1596743157	GLGHCNXCXKTDIC-HNNXBMFYSA-N	350.331	-0.055	10	20	FBCD	
CN(C)CCS(=O)(=O)c1ccccc1C(=O)N1CCS(=O)(=O)CC1	767182677	AIOYWWKOCOVICD-UHFFFAOYSA-N	374.484	-0.108	10	20	FBCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCNS(C)(=O)=O	1328649819	MCXCYWHFWISIBW-UHFFFAOYSA-N	370.475	-0.234	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCNC3)CC2)cc1F	1328370078	LLPOLOOKWWRYCU-LBPRGKRZSA-N	350.394	-0.039	10	20	FBCD	
O=C(NCCCn1cncn1)C(=O)NCc1ccc(N2CCOCC2)cc1	1332443530	LBWBVGDYFFBUDN-UHFFFAOYSA-N	372.429	-0.063	10	20	FBCD	
NC[C@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1333636166	PXTNAYVREHIPTD-HZPDHXFCSA-N	367.471	-0.099	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@H]3CCN(C)C3=O)CC2)cc1	819089266	IYVMTVQLGOMBHR-AEFFLSMTSA-N	362.474	-0.002	10	20	FBCD	
CCOC(=O)[C@@H](N)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	852861021	NNCAIGXGXDCDQB-HIFRSBDPSA-N	362.430	-0.105	10	20	FBCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@H]1COCCO1	918338199	XZEUEFLIKLXOIW-OAHLLOKOSA-N	354.428	-0.047	10	20	FBCD	
Cn1cc(/C=C\C(=O)N2C[C@@H](C(=O)O)Oc3ccccc32)c(=O)n(C)c1=O	1600947901	XZSHUTVHXSRWSK-DANTVBBOSA-N	371.349	-0.024	10	20	FBCD	
C[C@@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1	1847858827	LQKPSDOURGJLCD-DLOVCJGASA-N	362.386	-0.180	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)NCCN3C(=O)CNC3=O)cc2)CC1	883406920	FRPNXDFUTJUPNC-UHFFFAOYSA-N	374.445	-0.211	10	20	FBCD	
CN(C)c1ccc([C@@H](N)CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1	832274532	UYJSPWADFQXORC-AWEZNQCLSA-N	355.402	-0.047	10	20	FBCD	
O=C1CC[C@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)N1	1329403222	WBMRTLFQBHLUSX-CQSZACIVSA-N	351.428	-0.184	10	20	FBCD	
O=C(C[C@H]1CNCCO1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	827389089	KPYLVGVNTBCJJS-INIZCTEOSA-N	367.471	-0.084	10	20	FBCD	
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CO)CC2)cc1	855581846	OYWNNDJWOMBTAS-UHFFFAOYSA-N	357.432	-0.745	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)N3CCO[C@H](C(N)=O)C3)cc2)CC1	889670238	JJXSNTGHQNILLM-INIZCTEOSA-N	361.446	-0.166	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)NCCCON)CC2)cc1F	1120538769	LHAABHKGJNPMAS-UHFFFAOYSA-N	354.382	-0.121	10	20	FBCD	
CC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1	1835199326	ILKPUAGPXNFPLL-MRXNPFEDSA-N	351.359	-0.417	10	20	FBCD	
NC(=O)[C@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CCO1	806280048	ILOCQZUPFWXBEW-SECBINFHSA-N	358.445	-0.546	10	20	FBCD	
COC[C@H](O)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	852500438	MLJLLEXCWDUPQQ-OAHLLOKOSA-N	371.459	-0.272	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NCCN2C(=O)CCC2=O)cc1F	1258426839	FHEJUYGIMNZZDD-UHFFFAOYSA-N	364.377	-0.227	10	20	FBCD	
CN1CCN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)[C@H](CN)C1	842149042	UEONIFASXJEYCM-CYBMUJFWSA-N	351.426	-0.391	10	20	FBCD	
Nc1ccc(CC(=O)N2CCN([C@@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1	1328205068	KFFIDFCSYMEITQ-HUUCEWRRSA-N	353.444	-0.887	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@H](O)C[C@H]3C(=O)OC)nc12	264622729	RTISGWQLLIXCEW-PWSUYJOCSA-N	364.358	-0.280	10	20	FBCD	
O=C(C[C@H]1CC(=O)N1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1328439983	WXDGCKPJOFKAMC-ZDUSSCGKSA-N	351.428	-0.184	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCN2C(=O)NC[C@@H]2C1	1323724489	PIPDZMXHUXOGKB-OAHLLOKOSA-N	359.430	-0.087	10	20	FBCD	
O=C1C[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CN1	1845997544	URYLYLUZUQVTIT-LLVKDONJSA-N	360.370	-0.554	10	20	FBCD	
COC(=O)[C@@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1	728610118	VDIKRLNTCOIRGX-LBPRGKRZSA-N	358.372	-0.222	10	20	FBCD	
O=C(O)COCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	844245086	ZIQKUIXVQUZPHQ-UHFFFAOYSA-N	356.400	-0.361	10	20	FBCD	
COc1ccc(N2CCN(CCNC(=O)N[C@@H]3COC[C@@H]3O)CC2)cc1	875173334	OGRHIWMBIVEWBV-SJORKVTESA-N	364.446	-0.124	10	20	FBCD	
COc1ccc(-n2nnnc2CN2C[C@@H](O)[C@H](NC(=O)C(F)F)C2)cc1	1076659585	ABNGSSSOBBZNGZ-VXGBXAGGSA-N	368.344	-0.403	10	20	FBCD	
CNC(=O)NCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	761146490	RMDXPYXKOHQKLV-UHFFFAOYSA-N	354.432	-0.533	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)cc1	785421245	AWINFVBFKGBFGQ-ZDUSSCGKSA-N	354.432	-0.742	10	20	FBCD	
CN(C)S(=O)(=O)NCC(=O)NCc1ccc(N2CCOCC2)cc1	816897224	BDELEFBYNDTFGC-UHFFFAOYSA-N	356.448	-0.465	10	20	FBCD	
COC(=O)[C@@H]1C[C@@H](O)CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1	1326842886	ARLRRGFFGNMMPA-UKRRQHHQSA-N	363.414	-0.249	10	20	FBCD	
O=C(Cn1cnnn1)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1	1796600661	XQZSIIPFLRQAIE-ZSBIGDGJSA-N	373.373	-0.569	10	20	FBCD	
COCCNC(=O)CN1CCN(C(=O)NCCc2ccc(N)cc2)CC1	841955273	YCICBTMOTPCKSY-UHFFFAOYSA-N	363.462	-0.099	10	20	FBCD	
COc1ccc(N2CCN(C(=O)Cn3cnc(C(N)=O)n3)CC2)cc1F	845747345	DJIPAHVWVSMNNX-UHFFFAOYSA-N	362.365	-0.127	10	20	FBCD	
CN(C)c1ccc([C@H](N)CNC(=O)Cn2[nH]cc3c(=O)ncnc2-3)cc1	832274533	UYJSPWADFQXORC-CQSZACIVSA-N	355.402	-0.047	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H](CO)C(=O)O)CC2)cc1	1599585028	FACQZNYHVLUMLP-HOCLYGCPSA-N	353.419	-0.787	10	20	FBCD	
CNC(=O)CNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1261649621	NVXQXUJKFSCBMQ-UHFFFAOYSA-N	354.432	-0.533	10	20	FBCD	
COc1ccc(O)c(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1	271918452	ZLAGMSHRYAMMDO-LSDHHAIUSA-N	356.444	-0.012	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)NC[C@H]3CC[C@@H](C(N)=O)O3)ccc21	1329664693	IKJRGCAEDGOPEN-ZBFHGGJFSA-N	374.441	-0.166	10	20	FBCD	
C[C@@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1	1787295255	YWIYXBFSHZCSDT-URBCHYCLSA-N	365.386	-0.533	10	20	FBCD	
CCNc1nc(NCC)n2c(SCC(=O)NCC(=O)OC)nnc2n1	49513525	JQLJRIAEKWJROG-UHFFFAOYSA-N	368.423	-0.236	10	20	FBCD	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CN(CCOCCO)C[C@H]2O)cc1	1199270060	CVARHGRTUMHFKV-ZIAGYGMSSA-N	365.390	-0.367	10	20	FBCD	
O=C(NCC(=O)N1CCOCC1)C(=O)NCc1ccc(N2CCCC2)cc1	1327620103	DXJJMGIWTQRRJP-UHFFFAOYSA-N	374.441	-0.122	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)cc1F	747011749	KXLDYPQHRVNQFQ-UHFFFAOYSA-N	362.365	-0.172	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)NCCN3C(=O)CNC3=O)ccc21	1341101907	BQORYSFMYICHNV-UHFFFAOYSA-N	373.413	-0.647	10	20	FBCD	
CCN1CCN(c2ccc(CNC(=O)[C@H](N)CC(N)=O)cc2F)CC1	269591811	CQVUXAPTWYMEBF-CQSZACIVSA-N	351.426	-0.214	10	20	FBCD	
COc1ccc(O)c(CNC(=O)NCCS(=O)(=O)N2CCOCC2)c1	734070326	ZTSRHZLGDQFBHC-UHFFFAOYSA-N	373.431	-0.138	10	20	FBCD	
CC(=O)N1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1	1331065916	YNAUAZSMKYKCFF-MRXNPFEDSA-N	374.441	-0.124	10	20	FBCD	
NC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2	1804470575	QKNSGXLVEWAXSK-JGPRNRPPSA-N	363.374	-0.587	10	20	FBCD	
CC(=O)NC[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CCO1	283438240	JTHJSKBUDGKAQI-INIZCTEOSA-N	362.430	-0.268	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN(CCO)C[C@H](C)O)CC2)cc1	810040003	LNOBNIBGLKWDAI-FUHWJXTLSA-N	367.490	-0.147	10	20	FBCD	
CN1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)[C@H](CN)C1	842170407	FZZZEJQKLOAVPI-QGZVFWFLSA-N	357.458	-0.220	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cocn1	1794937522	OPNOWSFPPAJDDR-QHBPRCKVSA-N	374.353	-0.002	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1nc[nH]n1	1796027793	DAXGOAXJXFHHNG-DDFAGTSDSA-N	374.357	-0.872	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN2C(=O)NC(=O)[C@H]2C1	762351040	SQLXZQVOEANCLT-OAHLLOKOSA-N	359.430	-0.053	10	20	FBCD	
COc1ncc(NC(=O)C(=O)NCCc2ccc(O)c(O)c2)cc1C(N)=O	774364092	PMJYCQAEVGICNZ-UHFFFAOYSA-N	374.353	-0.102	10	20	FBCD	
CC(=O)C(=O)COC(=O)CN(C)S(=O)(=O)c1cccc([N+](=O)[O-])c1	808519717	ZGQBVDHJXAERFA-UHFFFAOYSA-N	358.328	-0.083	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)c(F)c1)C(=O)N1C[C@@H]2C[C@H]1CN2	884653170	VAYPUYSZRQNANT-KBPBESRZSA-N	362.405	-0.149	10	20	FBCD	
C[C@@H](NC(=O)C(=O)NCC(=O)N(C)C)c1ccc(N2CCOCC2)cc1	782474216	JMLAFHWNBDTMSN-CYBMUJFWSA-N	362.430	-0.095	10	20	FBCD	
COc1ccc(-n2nnnc2CN2C[C@H](O)[C@H](NC(=O)C(C)C)C2)cc1	1083344878	KXCLINBGLCSELI-CABCVRRESA-N	360.418	-0.012	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)Cn1ccc(=O)[nH]c1=O	7190896	PEXVFLLODNPTIS-UHFFFAOYSA-N	374.397	-0.196	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)Nc2ccn(CC(N)=O)n2)c1	769717679	WXPDEZRNXFHNCC-UHFFFAOYSA-N	353.360	-0.302	10	20	FBCD	
CC(=O)NCC(=O)NCC(=O)NCc1ccc(N2CCC(O)CC2)cc1	1328509508	OZWSTNXKYKDEKF-UHFFFAOYSA-N	362.430	-0.484	10	20	FBCD	
CN1CCO[C@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1	746136273	KRABBHUOGJMBMZ-INIZCTEOSA-N	367.471	-0.132	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CCS(=O)(=O)C2)cc1	1321656967	JQEHYUJHCBKHDT-ZDUSSCGKSA-N	353.444	-0.080	10	20	FBCD	
Cc1nn(C)c2c1N(C(=O)C1=CC=CN3CCS(=O)(=O)N=C13)CCO2	268127262	DPUQUFFQZOWAEY-UHFFFAOYSA-N	363.399	-0.048	10	20	FBCD	
CN1CCO[C@@H](C(=O)NCc2ccc(N3CCS(=O)(=O)CC3)cc2)C1	746136274	KRABBHUOGJMBMZ-MRXNPFEDSA-N	367.471	-0.132	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN3C[C@@H](O)[C@H](OC)C3)CC2)cc1	832007881	RBNZAQBHWSABKB-QXAKKESOSA-N	365.474	-0.130	10	20	FBCD	
NC(=O)N=Nc1ccc(C(=O)N2CC(NC(=O)[C@H]3C[C@H]3C(N)=O)C2)cc1	999897447	NYJSEBNDRWVMJY-NEPJUHHUSA-N	358.358	-0.089	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN(C)C[C@H](O)CN)CC2)cc1	923366606	NXKONESFECOUFB-SJORKVTESA-N	352.479	-0.571	10	20	FBCD	
CCOC(=O)[C@H](N)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	852861023	NNCAIGXGXDCDQB-UKRRQHHQSA-N	362.430	-0.105	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN(C)C[C@@H](O)CN)CC2)cc1	923366604	NXKONESFECOUFB-IRXDYDNUSA-N	352.479	-0.571	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCN2CCNC(=O)C2)c1	270823918	ZTXJATCRILUHAX-UHFFFAOYSA-N	370.431	-0.685	10	20	FBCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCS(=O)(=O)N1CCOCC1	779508217	GVIJUUUIHMPZAR-DUXPYHPUSA-N	356.400	-0.111	10	20	FBCD	
Cc1cc(N(C)C)ccc1C[C@@H](C)NC(=O)C(=O)N(CCN)CCO	842072244	KZLYGDQKRXFNAX-CQSZACIVSA-N	350.463	-0.112	10	20	FBCD	
CNS(=O)(=O)c1cc(NS(=O)(=O)N(C)CCOC)ccc1O	844665040	ABEZCZKIPMTVGU-UHFFFAOYSA-N	353.422	-0.465	10	20	FBCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)Cn1cnc(C(N)=O)n1	845117229	QEDFDTKYNPBAMW-UHFFFAOYSA-N	358.402	-0.128	10	20	FBCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3OCCN(C)C3=O)cc2)CC1	907641488	UILADWHIDAPENS-QGZVFWFLSA-N	374.441	-0.172	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2nnc3n2CCOC3)c1	1116750153	LODJLXMLXXIPHX-UHFFFAOYSA-N	367.387	-0.185	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N(C)[C@H]3CCNC3=O)C2)cc1	1349036217	HLUPGFHXOFMTPA-BBRMVZONSA-N	374.441	-0.015	10	20	FBCD	
O=C(C(O)O)N1CC2(CCCN2C(=O)c2cc(O)c(O)c(Cl)c2)C1	1845500507	IZJIXFBUMRPYGM-UHFFFAOYSA-N	356.762	-0.121	10	20	FBCD	
CNC(=O)[C@@H](C)NC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	1346236862	LKDGFBFWOQFZOY-ZBFHGGJFSA-N	350.463	-0.098	10	20	FBCD	
C[C@@H](CN)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1	1847056904	UPCRHCOIKCFKEP-JTQLQIEISA-N	370.500	-0.355	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](CN)C3)cc2)CC1	885210097	JMFDCZWASCJHJS-INIZCTEOSA-N	359.474	-0.138	10	20	FBCD	
COc1cccc(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1O	265221470	GYTQDXPYRGYNGY-ZIAGYGMSSA-N	356.444	-0.012	10	20	FBCD	
COc1ccc(N2CCN(CCCNC(=O)[C@H](N)CC(N)=O)CC2)cc1	269708187	NILNDABUBWKYLV-MRXNPFEDSA-N	363.462	-0.474	10	20	FBCD	
COc1cccc(CNc2c(-c3nn[nH]n3)c(=O)n(C)c(=O)n2C)c1O	737131831	FFNPZGARVSKMTP-UHFFFAOYSA-N	359.346	-0.410	10	20	FBCD	
Cc1c(CNC(=O)C(=O)NCC(=O)N2CCNCC2)n(C)c2ccccc12	581419576	ZSWPQOJPLDSVCE-UHFFFAOYSA-N	371.441	-0.349	10	20	FBCD	
CN1CCN(C)[C@H](CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	264948218	SVPVKFFNWDZLBW-GFCCVEGCSA-N	356.448	-0.261	10	20	FBCD	
CNS(=O)(=O)CCNC(=O)NCc1ccc(N2CCN(C)CC2)cc1	883636718	YFLCVUPZWYICTC-UHFFFAOYSA-N	369.491	-0.213	10	20	FBCD	
CNC(=O)Cn1cc(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1	919819699	XYIAGUWHEBNVHI-UHFFFAOYSA-N	367.387	-0.042	10	20	FBCD	
Cc1cc(NC=C2C(=O)NC(=S)NC2=O)n([C@H]2CCS(=O)(=O)C2)n1	920979853	KLRZRAWWSJSZKD-QMMMGPOBSA-N	369.428	-0.622	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN[C@]3(C(=O)O)CCOC3)nc12	1596743163	GLGHCNXCXKTDIC-OAHLLOKOSA-N	350.331	-0.055	10	20	FBCD	
COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	275536603	KRNQVFQMIILAMD-OLZOCXBDSA-N	372.399	-0.098	10	20	FBCD	
Nc1ccc(CCNC(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)cc1	841963095	WHBUAFQLYMFXMF-UHFFFAOYSA-N	359.430	-0.056	10	20	FBCD	
COC[C@@H](O)CNC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843079750	AWWXCEBVHKCDIR-IRXDYDNUSA-N	353.463	-0.225	10	20	FBCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1	1261318490	CAYVZBFCBOXLNB-CYBMUJFWSA-N	374.397	-0.107	10	20	FBCD	
COc1ccc(O)c(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1	271918449	ZLAGMSHRYAMMDO-CABCVRRESA-N	356.444	-0.012	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN3CC(=O)N[C@H](C)C3)CC2)cc1	831762251	CCWHHGNGJYALIZ-WBVHZDCISA-N	362.474	-0.002	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)NC[C@@H]2CNC(=O)C2)cc1	846740701	MQEUJMJTYOFEOL-ZDUSSCGKSA-N	362.430	-0.158	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N(C)[C@H]3CCNC3=O)cc2)CC1	1119510405	WQBPAUZCTHKXQU-INIZCTEOSA-N	373.457	-0.599	10	20	FBCD	
C[C@H](NC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)N1CCS(=O)(=O)CC1	272402815	IAAASQZLAKXCQI-TZNOJPMFSA-N	368.411	-0.127	10	20	FBCD	
COc1cccc(CNC(=O)CNS(=O)(=O)c2cnn(C)c2)c1O	729859820	XAQJSXGOAIWNDD-UHFFFAOYSA-N	354.388	-0.271	10	20	FBCD	
COCCN1C(=O)/C(=C/NNc2nncc(N)c2Cl)C(=O)NC1=S	1116286275	OPZVCMPKGFDANA-GQCTYLIASA-N	371.810	-0.598	10	20	FBCD	
CONC(=O)Cn1nnnc1N1CCN(c2ccc(OC)c(F)c2)CC1	1120283968	BZFXDMOPQMTZKX-UHFFFAOYSA-N	365.369	-0.175	10	20	FBCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1C[C@@H](C(=O)O)C[C@@H](O)C1	1608468203	WDEJGVYCHKFMOG-GOEBONIOSA-N	373.409	-0.027	10	20	FBCD	
CNS(=O)(=O)CCNC(=O)NCc1ccc(N2CCOCC2)cc1	275939603	SKUBEBYXDVNFLM-UHFFFAOYSA-N	356.448	-0.128	10	20	FBCD	
O=C1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CN1	1841112102	HHVGANXBTIVLOW-NSHDSACASA-N	374.397	-0.164	10	20	FBCD	
CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cccc(O)c1O)C2	368952236	UNOZTYYQUDGPJH-UHFFFAOYSA-N	361.358	-0.800	10	20	FBCD	
CCONC(=O)CNC(=O)C(=O)N(C)CCN(C)c1ccc(OC)cc1	1118302068	ZCMDSGUOFDUQEB-UHFFFAOYSA-N	366.418	-0.226	10	20	FBCD	
O=C(CN1CCOC[C@H]1CO)NCc1ccc(N2CCOCC2)c(F)c1	769903686	PPMHIFSOTOZTBH-OAHLLOKOSA-N	367.421	-0.028	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ncc[nH]1)C2)c1cc(O)nc(O)c1	1796137682	RLROFCPFZCDOQZ-GNXNZQSNSA-N	373.369	-0.267	10	20	FBCD	
O=C1NC(=O)N2CCN(C(=O)NCc3ccc(N4CCOCC4)cc3)C[C@@H]12	760095271	LRHIAFCIMRAPFW-HNNXBMFYSA-N	373.413	-0.031	10	20	FBCD	
CCOCCS(=O)(=O)NCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832286376	YUUMWFOSOAKHPT-OAHLLOKOSA-N	372.491	-0.176	10	20	FBCD	
COC(=O)[C@H]1C[C@H](O)CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	844120528	ZLYMWOTUUQYPGN-ONGXEEELSA-N	372.399	-0.240	10	20	FBCD	
CC[C@H](C(N)=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1084108924	LTVZVROAEVXQTA-UPJWGTAASA-N	362.390	-0.112	10	20	FBCD	
C[C@@H](O)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1	1783519031	JCKSIKDZHCWGOH-QLJPJBMISA-N	351.359	-0.683	10	20	FBCD	
COC(=O)C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)OC	271188556	FJGCKGHPVHPDFY-JTQLQIEISA-N	374.371	-0.402	10	20	FBCD	
COC(=O)CN(CC(=O)OC)C(=O)c1cc(NS(C)(=O)=O)ccc1O	769758194	AMKDWKQZAUDYKQ-UHFFFAOYSA-N	374.371	-0.448	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@H](CO)[C@H](O)C3)nc12	787997589	USBHEXUMXRKOBN-ZWNOBZJWSA-N	350.375	-0.213	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3CCN(C)C(=O)C3)C2)cc1	846741474	SZMCFMAVBDLVGQ-CQSZACIVSA-N	374.441	-0.062	10	20	FBCD	
COCc1n[nH]c(CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1	855518862	TYQSASDRGDYZHP-UHFFFAOYSA-N	355.376	-0.042	10	20	FBCD	
C[C@H](O)C(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2	1800749893	WEJTYUYKBVNWKO-CBRVECNMSA-N	351.359	-0.923	10	20	FBCD	
CN(C)c1ccc([C@@H](CNC(=O)C(=O)N2CCNC(=O)C2)N(C)C)cc1	934312172	CIVOWVJIEFPPGY-OAHLLOKOSA-N	361.446	-0.570	10	20	FBCD	
CCNc1nc(NCC)n2c(SCC(=O)N(C)CCO)nnc2n1	298785230	NEXVIJWJXFFTPF-UHFFFAOYSA-N	354.440	-0.074	10	20	FBCD	
CN(CCNS(C)(=O)=O)C(=O)c1cc(NS(C)(=O)=O)ccc1O	1321801797	VJLBWGXFABKDEL-UHFFFAOYSA-N	365.433	-0.615	10	20	FBCD	
O=C(N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)Cn1cnnn1)c1cc(O)nc(O)c1	1796295572	ATHCKBYHNXBULC-ZSBIGDGJSA-N	373.373	-0.569	10	20	FBCD	
Cn1c(=O)ccn(CC(=O)NCc2ccc(N3CCOCC3)cc2)c1=O	299105264	NTDOXDURBBCTLM-UHFFFAOYSA-N	358.398	-0.300	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN(CCO)CCO)CC2)cc1	754028542	YMNWQRRIJUFKMD-QGZVFWFLSA-N	353.463	-0.535	10	20	FBCD	
C[C@H]1CN(C)C(=O)CN1C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	788334067	WPCXDTYTJFHKJN-AWEZNQCLSA-N	374.441	-0.172	10	20	FBCD	
O=C(CN1CCOC1=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	874097790	MHDAGTHIXNEBKE-UHFFFAOYSA-N	367.427	-0.010	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)NCCS(C)(=O)=O)ccc21	283940347	HKRYRHHZNALORP-UHFFFAOYSA-N	353.444	-0.154	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)N3CCO[C@@H](C(N)=O)C3)cc2)CC1	889670239	JJXSNTGHQNILLM-MRXNPFEDSA-N	361.446	-0.166	10	20	FBCD	
COc1ccc(-n2nnnc2CNCCNC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])cc1	1126936483	KNPKIJYJAXZITL-CHWSQXEVSA-N	361.362	-0.458	10	20	FBCD	
CCNc1nc(NCC)n2c(SCC(=O)NCCC(N)=O)nnc2n1	266110396	SOSKGXQHLSTHMC-UHFFFAOYSA-N	367.439	-0.533	10	20	FBCD	
O=C(COC(=O)c1cc(O)cs1)NC(=O)N[C@@H]1CCS(=O)(=O)C1	778119566	ZRPBCTPQRBJKLJ-SSDOTTSWSA-N	362.385	-0.377	10	20	FBCD	
CO[C@@H]1CN(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)C[C@H]1O	832001499	OWDCPUNGGYOABX-IAGOWNOFSA-N	367.421	-0.030	10	20	FBCD	
CO[C@@H]1CN(C(=O)C(N)=O)C[C@H]1NC(=O)c1ccc(N=NC(N)=O)cc1	942297548	GPSFPVOBFKRYDR-GHMZBOCLSA-N	362.346	-0.710	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NCC[S@@](C)=O)cc2)CC1	897682322	NTFOTOZYGICNNX-RUZDIDTESA-N	366.487	-0.451	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)Cn3c(=O)ccn(C)c3=O)CC2)cc1	758198066	RAOXSAVYBBCISA-MRXNPFEDSA-N	374.441	-0.261	10	20	FBCD	
COCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1	855581879	PWZYIBDLBHIHBF-UHFFFAOYSA-N	371.459	-0.090	10	20	FBCD	
CC(=O)NCC(=O)NCC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C	891254758	JAKKGQBHHGGPPY-MRXNPFEDSA-N	363.462	-0.276	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O	1332047166	VVGRPCZKOLBRNA-CQSZACIVSA-N	360.414	-0.059	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN(CCO)C[C@H](C)O)CC2)cc1	810040005	LNOBNIBGLKWDAI-WMZOPIPTSA-N	367.490	-0.147	10	20	FBCD	
COC[C@@H](CO)NC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843079746	AWAZUQMRQRJNSK-NVXWUHKLSA-N	353.463	-0.225	10	20	FBCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCOC3)cc2)C1	793734097	PNZGVJUEMYZPGV-GJZGRUSLSA-N	374.441	-0.090	10	20	FBCD	
COC(=O)[C@@H]1C[C@H](O)CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1	1326842885	ARLRRGFFGNMMPA-HIFRSBDPSA-N	363.414	-0.249	10	20	FBCD	
N=C(N)SCC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843249653	HZJAJFBLUSABDS-UHFFFAOYSA-N	365.415	-0.064	10	20	FBCD	
CN(C)c1ccc(CNC(=O)CN2CCN3C(=O)C(=O)NC[C@H]3C2)cc1	374206930	GREPNXZFGKMQEG-HNNXBMFYSA-N	359.430	-0.989	10	20	FBCD	
COc1cccc(CNC(=O)CCn2cc(S(N)(=O)=O)cn2)c1O	729859825	XHQHMHUQKPLIRT-UHFFFAOYSA-N	354.388	-0.049	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@H](CO)[C@@H](C)O)CC2)cc1	843063407	ZCHYNOCXBOBHGP-QGPMSJSTSA-N	353.463	-0.491	10	20	FBCD	
O=C(NCCN1C(=O)CNC1=O)NCc1ccc(N2CCOCC2)cc1	265042729	IOAOLOCMRWKDMQ-UHFFFAOYSA-N	361.402	-0.126	10	20	FBCD	
CN(C)c1ccc(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)cc1	267398425	WSKOUGBJBATVCM-UHFFFAOYSA-N	354.476	-0.054	10	20	FBCD	
CN(C)c1ccc(CNC(=O)CN2CCN(S(N)(=O)=O)CC2)cc1	298075718	SJBFCQWRHCDLIC-UHFFFAOYSA-N	355.464	-0.810	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N3C[C@@H]4CNC[C@@H]4C3)cc2)CC1	885210175	LHXDQVKQTLFWSG-CALCHBBNSA-N	371.485	-0.268	10	20	FBCD	
CNCCCN(C)C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1	1326233536	ZITUIMUMCIAHJA-CQSZACIVSA-N	360.414	-0.396	10	20	FBCD	
CCN(C)C(=O)CNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	788313874	WXNDMOQETGANNN-UHFFFAOYSA-N	362.430	-0.266	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NCc3cn(C)nn3)cc2)CC1	1338680079	GZARZWSENDNASX-UHFFFAOYSA-N	371.445	-0.501	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)C(F)F)C2)c1cc(O)nc(O)c1	1796137787	VRQRXCPUCPCQNI-BZBKMWRSSA-N	357.313	-0.039	10	20	FBCD	
Cc1ccc(C(=O)N[C@@H](C)C(=O)N2CCS(=O)(=O)CC2)c(O)c1O	267641583	ZECDQEVDKAGUCW-JTQLQIEISA-N	356.400	-0.218	10	20	FBCD	
Cn1c(=O)c2cc(C(=O)NCc3ccc(O)c(O)c3)cnc2n(C)c1=O	768917335	KNXAGGKFHJIQCW-UHFFFAOYSA-N	356.338	-0.027	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@H]3CCN(C)C3=O)CC2)cc1	819089269	IYVMTVQLGOMBHR-WMZOPIPTSA-N	362.474	-0.002	10	20	FBCD	
CN(C)c1ccc(CNC(=O)NCCOCCS(N)(=O)=O)cc1F	838030539	UYACLGYTXJLGNM-UHFFFAOYSA-N	362.427	-0.004	10	20	FBCD	
CNC(=O)CCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	853458762	SMHHFAVPBGPAJA-UHFFFAOYSA-N	368.459	-0.143	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)NCCNS(C)(=O)=O)ccc21	1323656837	OXLAZXZYGGDHCZ-UHFFFAOYSA-N	368.459	-0.649	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)N1CCN(S(C)(=O)=O)CC1	1325071991	KXDUOPWTIXQXAT-UHFFFAOYSA-N	355.416	-0.546	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cocn1)C2)c1cc(O)nc(O)c1	1796137255	DYSBLPBKJZNVOO-QHBPRCKVSA-N	374.353	-0.002	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3CCNC(=O)C3)CC2)c(OC)c1	913482050	DIDZHFGPOGJTNS-UHFFFAOYSA-N	362.430	-0.216	10	20	FBCD	
COCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1	1796137670	QGHZJJGILGFKII-QHBPRCKVSA-N	351.359	-0.658	10	20	FBCD	
CN(C)C(=O)CN1CCN(C(=O)COC(=O)c2cccc(O)c2O)CC1	758561499	OYRDIBLAHJVQMW-UHFFFAOYSA-N	365.386	-0.513	10	20	FBCD	
Cn1cnc2c1c(=O)n(CC(=O)NCCc1ccc(O)c(O)c1)c(=O)n2C	269194140	KUOALHNGYWYHNH-UHFFFAOYSA-N	373.369	-0.796	10	20	FBCD	
C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCN1	885210695	XVWBFYMNOZRUKY-HNNXBMFYSA-N	359.474	-0.125	10	20	FBCD	
O=C(Cn1cnnn1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	920739609	OPAPYHFETKFAKB-UHFFFAOYSA-N	350.404	-0.776	10	20	FBCD	
COc1ccc(N2CCN(C(=O)Cn3cnc(-c4nn[nH]n4)n3)CC2)cc1	1609357729	VLXXWMAKOUDKKZ-UHFFFAOYSA-N	369.389	-0.184	10	20	FBCD	
COCCN1C(=O)/C(=C/NNc2ncc(Cl)cn2)C(=O)NC1=S	856720084	ZVJPEUCHYYJVRV-SOFGYWHQSA-N	356.795	-0.180	10	20	FBCD	
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCC[S@](C)=O)N(C)C)cc1	930022298	WGWIUELQRRHQMU-BZQUYTCOSA-N	368.503	-0.034	10	20	FBCD	
C[C@@H](NC(=O)C(=O)NCc1nnn(C)n1)c1ccc(N2CCOCC2)cc1	1323629731	QXTZSOSMRURNMJ-GFCCVEGCSA-N	373.417	-0.460	10	20	FBCD	
CN1CCC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1=O	1349054980	HQAUWVXURIYJSA-MRXNPFEDSA-N	374.441	-0.124	10	20	FBCD	
O=S1(=O)C[C@@H](N2CCOCC2)[C@@H](NCc2cc3c(cc2O)OCO3)C1	265291169	ZJANJWOJBDZEQU-QWHCGFSZSA-N	370.427	-0.292	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN3CCNC(=O)[C@@H]3C)CC2)cc1	779224091	YGFNSAGJUPZAAO-RDJZCZTQSA-N	362.474	-0.002	10	20	FBCD	
CNS(=O)(=O)CC(=O)N1CCN(c2ccc(OC)cc2OC)CC1	870164893	FZSQWJINLVIAMP-UHFFFAOYSA-N	357.432	-0.098	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N2CC(=O)N[C@H](C)C2)cc1	846290656	VURSWSNSYZLVAT-CYBMUJFWSA-N	362.430	-0.063	10	20	FBCD	
NC(=O)CC(=O)NCCC1=CCN(c2cnc(-c3nn[nH]n3)cn2)CC1	1606412189	JLROXOCHISZRHH-UHFFFAOYSA-N	357.378	-0.825	10	20	FBCD	
CC(C)NC(=O)C(=O)N1CCN(Cc2cc3c(cc2O)OC[C@@H]3O)CC1	768443084	YSPGDBBASHLKEM-HNNXBMFYSA-N	363.414	-0.013	10	20	FBCD	
CONC(=O)Cn1nnnc1N(C)Cc1ccc(N2CCOCC2)cc1	1335047843	RGIMEPZCTWDPJH-UHFFFAOYSA-N	361.406	-0.176	10	20	FBCD	
CN(CCCNC(=O)COC(=O)c1cccc(O)c1O)S(C)(=O)=O	758560725	WEMLJBXYLLUNKX-UHFFFAOYSA-N	360.388	-0.348	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N[C@H]3CC(=O)N(C)C3)C2)cc1	1332024626	DCLHRMZQAHXCFH-KBPBESRZSA-N	374.441	-0.015	10	20	FBCD	
Cc1ccc(O)c(CNC(=O)Cn2cc(-c3nn[nH]n3)c(O)nc2=O)c1	1592186668	VRWLXBJCMRUTQX-UHFFFAOYSA-N	357.330	-0.541	10	20	FBCD	
CC(=O)C(=O)CN1C(C(=O)O)=NC2=NS(=O)(=O)c3ccccc3N21	1589021057	KDAFHTGQSQJUBO-UHFFFAOYSA-N	350.312	-0.577	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)CCn3cc[nH]c(=O)c3=O)cc2)CC1	881851202	GAGPVYXFOMTUFA-UHFFFAOYSA-N	371.441	-0.005	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)NCc2nnn(C)n2)cc1	1327525622	ITOMYKSVQQEPPW-UHFFFAOYSA-N	361.406	-0.570	10	20	FBCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@@H](CO)NC(N)=O)cc2)CC1	1339619217	YNUUXSKUFCDQRO-OAHLLOKOSA-N	363.418	-1.000	10	20	FBCD	
CN1CCN(c2ccc(CN3CCN4C(=O)C(=O)NC[C@@H]4C3)cc2)CC1	775737148	PPKAHUDHZJWCKU-QGZVFWFLSA-N	357.458	-0.419	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN3CCO[C@@H](CN)C3)CC2)cc1	923332420	IXUNPCVBPLNERM-HKUYNNGSSA-N	364.490	-0.162	10	20	FBCD	
CS(=O)(=O)CCS(=O)(=O)NCc1ccc(N2CCOCC2)cc1	266113467	CDWMXHNFMOJFTE-UHFFFAOYSA-N	362.473	-0.013	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CCN3C(=O)NC[C@H]3C2)cc1F	1257535937	MALBFIKVTACLAW-LBPRGKRZSA-N	363.393	-0.256	10	20	FBCD	
CCNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)cc1	1344851444	GTVKVLMVJXILBR-UHFFFAOYSA-N	356.448	-0.576	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)NC[C@@H]3CC[C@H](C(N)=O)O3)ccc21	1329664691	IKJRGCAEDGOPEN-GOEBONIOSA-N	374.441	-0.166	10	20	FBCD	
CO[C@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1	1783988741	WXYJMHWONWCWPY-DIFFPNOSSA-N	365.386	-0.029	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ccon1	1794926018	OPRDRFYEXPZYFY-QHBPRCKVSA-N	374.353	-0.002	10	20	FBCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N3CCOCC3)cc2)C1	774175997	BBGWDGWFBIBHIK-OAHLLOKOSA-N	374.441	-0.137	10	20	FBCD	
CN(CCS(C)(=O)=O)C(=O)c1cc(NS(C)(=O)=O)ccc1O	1322425206	UONJPRUMTTXJRJ-UHFFFAOYSA-N	350.418	-0.120	10	20	FBCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N3CCOCC3)cc2)C1	774175995	BBGWDGWFBIBHIK-HNNXBMFYSA-N	374.441	-0.137	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCS(=O)(=O)C2)cc1F	1120282514	UTQJVTZKRRMVMU-NSHDSACASA-N	357.407	-0.189	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cnc[nH]1	1794712293	FMYNHDQSTLFDDA-QHBPRCKVSA-N	373.369	-0.267	10	20	FBCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCOC3)cc2)C1	793734098	PNZGVJUEMYZPGV-HUUCEWRRSA-N	374.441	-0.090	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@H]3CC(=O)N(C)C3)CC2)cc1	818994676	IYMSMPIBTDHACM-DOTOQJQBSA-N	362.474	-0.002	10	20	FBCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CNS(=O)(=O)c1cnn(C)c1	773749039	NYTUSUICDXNPDC-JTQLQIEISA-N	368.415	-0.143	10	20	FBCD	
O=C(C(=O)C(=O)N1CC[C@@H]2CNC[C@@H]21)C(=O)N1CC[C@H](c2cccnc2)C1	1326502930	PWKGBNCXBPEFMS-ILXRZTDVSA-N	370.409	-0.644	10	20	FBCD	
CC(=O)NCC(=O)NCCC1=CCN(c2ccc(-c3nn[nH]n3)nn2)CC1	1588846120	CVIWTMHEWSYACW-UHFFFAOYSA-N	371.405	-0.564	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNCCNC(C)=O)CC2)cc1	758183656	BZVFUEOLXNMQKL-KRWDZBQOSA-N	350.463	-0.096	10	20	FBCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NCC[S@](C)=O	804998542	IOQHIPBOGPBZHC-VWLOTQADSA-N	367.471	-0.024	10	20	FBCD	
Cc1nn(CC(=O)NCc2ccc(N3CCN(C)CC3)cc2)c(=O)n1C	881854339	CFCFMABOQLBEGA-UHFFFAOYSA-N	358.446	-0.042	10	20	FBCD	
COCCN1C(=O)/C(=C\NNc2cccc(OC)n2)C(=O)NC1=S	272420079	QCNBUHNSOZTOKC-HJWRWDBZSA-N	351.388	-0.220	10	20	FBCD	
COCCN1C(=O)/C(=C\NNc2cncc(Cl)n2)C(=O)NC1=S	298289352	DXMRRIDXYCGPRN-DAXSKMNVSA-N	356.795	-0.180	10	20	FBCD	
C[C@@H](NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)c1ccc(N(C)C)cc1	807674196	HXODPMWBOQHNOJ-RISCZKNCSA-N	368.459	-0.181	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)NC[C@H](C)N)CC2)c(OC)c1	884685155	ZYXSBPQSEWPAFF-LBPRGKRZSA-N	350.419	-0.184	10	20	FBCD	
C[C@@H](NC(=O)c1c(F)ccc(O)c1O)C(=O)N1CCS(=O)(=O)CC1	276620755	QXIFKBIVXBLKLP-MRVPVSSYSA-N	360.363	-0.388	10	20	FBCD	
O=C1CC[C@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)nc(O)c2)CN1	1847322457	XXKXNYNBDBYHMF-DRZSPHRISA-N	374.397	-0.166	10	20	FBCD	
O=C(CN1CCOCC1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	779178871	VMXVBIVSTHDRIO-UHFFFAOYSA-N	367.471	-0.130	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN(C)C[C@@H](O)CN)CC2)cc1	923366597	NXKONESFECOUFB-DLBZAZTESA-N	352.479	-0.571	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NCCNC3CC3)cc2)CC1	884690439	ZKBWGHVUXKKWKV-UHFFFAOYSA-N	359.474	-0.077	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NCC[S@](C)=O)cc2)CC1	897682323	NTFOTOZYGICNNX-VWLOTQADSA-N	366.487	-0.451	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc[nH]n1)C2)c1cc(O)nc(O)c1	1796136079	NSRVJYOEOWUAJB-QHBPRCKVSA-N	373.369	-0.267	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@@H](CO)C3)cc2)CC1	898321183	YSJKDAQZSUCUPJ-MRXNPFEDSA-N	360.458	-0.105	10	20	FBCD	
COC(=O)CN(C)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O	1341343558	UCOGPZNWPIVICA-UHFFFAOYSA-N	359.404	-0.402	10	20	FBCD	
COC[C@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1199271044	QHYKXUQNDZUOGA-MGPQQGTHSA-N	365.390	-0.369	10	20	FBCD	
CN1CCNC[C@@H]1C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	1340185112	RLZBEZGKDUWOTJ-NVXWUHKLSA-N	359.474	-0.092	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCn4nnc(CO)c4C3)nc12	821280786	ZZHVHPGFUCFRKN-UHFFFAOYSA-N	373.373	-0.289	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCS(=O)(=O)C2)cc1F	1120282511	UTQJVTZKRRMVMU-LLVKDONJSA-N	357.407	-0.189	10	20	FBCD	
O=C1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)N1	1842735977	FLOHQNNOZSTCOT-NSHDSACASA-N	360.370	-0.412	10	20	FBCD	
Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(O)c(O)c1)c(=O)n2C	269087559	KEPJOUKIXQQXID-UHFFFAOYSA-N	359.342	-0.839	10	20	FBCD	
COc1ccc(N2CC[C@@H](NC(=O)C(=O)NC[C@H](F)C(=O)O)C2)cc1	1607269501	OGBSRXVYRKZPET-MFKMUULPSA-N	353.350	-0.071	10	20	FBCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCN(S(C)(=O)=O)CC1	274905762	HKOAQUSZCDWJAM-LBPRGKRZSA-N	371.459	-0.278	10	20	FBCD	
CO[C@@H](C)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1	1796140375	NAIPMURBZGMODR-BTABJRDXSA-N	365.386	-0.269	10	20	FBCD	
O=S1(=O)CCN(c2ccc(CNS(=O)(=O)C3COC3)cc2)CC1	755085338	SDPQVCUXSGJLDD-UHFFFAOYSA-N	360.457	-0.260	10	20	FBCD	
CCN1CCN(c2ccc(CNC(=O)C(=O)NCCNC)cc2F)CC1	842214693	OIXWMPYKNPMQEY-UHFFFAOYSA-N	365.453	-0.081	10	20	FBCD	
CC(CO)(CO)NC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	844905520	MKAOAZZEGUFYMF-AWEZNQCLSA-N	364.446	-0.069	10	20	FBCD	
C[C@@H](NC(=O)C(=O)NCCN1C(=O)CNC1=O)c1ccc(N(C)C)cc1	1324649647	NGLXCKZLBKGWLF-LLVKDONJSA-N	361.402	-0.402	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)NC[C@H]1COCCO1	1325736683	PFGGQIHAWDMIRW-INIZCTEOSA-N	363.414	-0.329	10	20	FBCD	
NCCN(CCO)C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	1327858852	YJJUPQCHZABLBO-UHFFFAOYSA-N	364.446	-0.957	10	20	FBCD	
C[C@H](O)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2	1846174896	VTHBNQKMUHJCKO-VIFPVBQESA-N	357.457	-0.569	10	20	FBCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCNC3)cc2)C1	861732577	KETGKUKOMACVTM-HUUCEWRRSA-N	373.457	-0.517	10	20	FBCD	
Cn1cnc(C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)n1	1842353784	MXKFVOYQPFFNSL-UHFFFAOYSA-N	358.358	-0.248	10	20	FBCD	
COc1ccc(N2CCCN(C(=O)CNC(=O)CNC(C)=O)CC2)cc1	60397538	RIMWCMNFQUZDEG-UHFFFAOYSA-N	362.430	-0.014	10	20	FBCD	
NS(=O)(=O)N1CCC[C@H](C(=O)OCC(=O)c2ccc(O)c(O)c2)C1	815263438	QHGLGIJWQYCPLX-JTQLQIEISA-N	358.372	-0.261	10	20	FBCD	
O=C(C(=O)C(=O)N1[C@H]2CC[C@H]1CNC2)C(=O)N1CC[C@H](c2cccnc2)C1	852925458	HARRQFJHYRLVQZ-KKUMJFAQSA-N	370.409	-0.502	10	20	FBCD	
NC(=O)CN1C[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc(N=NC(N)=O)cc1	1083288590	OGYSWTBTDHUCGI-QWHCGFSZSA-N	360.374	-0.141	10	20	FBCD	
COc1ccc(-n2nnnc2CN2[C@H]3CC[C@@H]2C[C@@H]3NC(=O)C(N)=O)cc1	1095954283	NALVKLGZXPHPOK-XBFCOCLRSA-N	371.401	-0.622	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCOC[C@@H]3C(=O)OC)nc12	267791089	JNVCJKFVFUGBEW-GFCCVEGCSA-N	364.358	-0.015	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CNS(=O)(=O)N(C)C)CC2)cc1F	829869248	LTBIGTHRYMMCAU-UHFFFAOYSA-N	374.438	-0.121	10	20	FBCD	
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CN)CC2)cc1	852904849	IACIOKLTDQWFEB-UHFFFAOYSA-N	356.448	-0.778	10	20	FBCD	
CNC(=O)CCCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	1117052255	JMXOOVIJAIGIJW-UHFFFAOYSA-N	362.430	-0.218	10	20	FBCD	
CN(C)CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2	1795181947	NKLBNHSHYGXFOH-DRXBFXEBSA-N	364.402	-0.742	10	20	FBCD	
CN(CCOCCO)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	283651923	AUANYRLYRFHXKS-UHFFFAOYSA-N	365.430	-0.393	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)N3CCO[C@H](C(=O)O)C3)ccc21	817109024	YZJDYPHHLZZKAH-HNNXBMFYSA-N	361.398	-0.003	10	20	FBCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)N(C)CC(N)=O)CC2)cc1	778232837	IHINJJVYWDZRON-FPLPWBNLSA-N	360.414	-0.156	10	20	FBCD	
CCN(CC(N)=O)C[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	789518118	OIEKZTIABROZFA-MRXNPFEDSA-N	350.463	-0.015	10	20	FBCD	
O=C(c1cc(O)c(O)c(Cl)c1)N1CC2(CCCN2C(=O)C(O)O)C1	1841236441	LUPASDKMTUAWPY-UHFFFAOYSA-N	356.762	-0.121	10	20	FBCD	
CN(C(=O)/C=C/c1cn(C)c(=O)n(C)c1=O)c1cccc(-c2nn[nH]n2)c1	1590978552	SVJBBMWKXPQWMP-BQYQJAHWSA-N	367.369	-0.060	10	20	FBCD	
C[C@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1	1796141261	VFOUZIFAOBMFEJ-CBRVECNMSA-N	351.359	-0.923	10	20	FBCD	
O=C(c1cccc(O)c1O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1	1322320210	MDNPEYNMJCHSKJ-UHFFFAOYSA-N	353.360	-0.637	10	20	FBCD	
COc1ccc(N2CCN(C(=O)Cn3c(=O)ccn(C)c3=O)CC2)cc1	913540672	IUTSXFSNZFURBZ-UHFFFAOYSA-N	358.398	-0.096	10	20	FBCD	
Cn1nnc2c(N3CC=C(CCNC(=O)[C@H]4C[C@H]4C(N)=O)CC3)ncnc21	1089866987	XQQWBPUOPXVBJP-NEPJUHHUSA-N	370.417	-0.478	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)NC1CC(NS(C)(=O)=O)C1	1117312293	RKBTUXPHVPCDKS-UHFFFAOYSA-N	355.416	-0.453	10	20	FBCD	
C[C@@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC(=O)N1	297797637	KWWGWLPDJMVIKW-CQSZACIVSA-N	374.441	-0.172	10	20	FBCD	
Cn1c(=O)c2c(ncn2CC(=O)NCCc2ccc(O)c(O)c2)n(C)c1=O	298808949	WIFSJZOUZKFLJM-UHFFFAOYSA-N	373.369	-0.796	10	20	FBCD	
C[C@H]1NC(=O)N(CCOC(=O)c2cc(NS(C)(=O)=O)ccc2O)C1=O	837464856	FIYIGNGGTGJGPL-MRVPVSSYSA-N	371.371	-0.139	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)CCn1cc(-c2nn[nH]n2)c(O)nc1=O	1591147245	CLKZPUQGUJEYPM-UHFFFAOYSA-N	371.357	-0.117	10	20	FBCD	
NCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)c(O)c(Cl)c1)C2	1795528296	CAKOBQJKKUAYIO-WDAIWFPHSA-N	369.805	-0.087	10	20	FBCD	
COc1cccc(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1O	265221467	GYTQDXPYRGYNGY-KGLIPLIRSA-N	356.444	-0.012	10	20	FBCD	
CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	841071294	MVYFENOUBIHYCR-OAHLLOKOSA-N	359.430	-0.028	10	20	FBCD	
C[C@@H]1CNCCN1C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	885210086	JJBCILUIWPMKGY-OAHLLOKOSA-N	359.474	-0.125	10	20	FBCD	
COc1cc(N2CCN3C(=O)C(=O)NC[C@H]3C2)c([N+](=O)[O-])cc1OC	271050548	PSSKANYXDAFSLL-VIFPVBQESA-N	350.331	-0.241	10	20	FBCD	
CN1CCN(C(=O)C(=O)NCCCSc2nccs2)[C@H](CN)C1	842092071	JBAUCNLGOCYOFI-LLVKDONJSA-N	357.505	-0.157	10	20	FBCD	
CNS(=O)(=O)C[C@H]1CCCN1C(=O)C(=O)N(C)Cc1ccccc1O	1344924808	JEIRLJMLGKNLFZ-CYBMUJFWSA-N	369.443	-0.109	10	20	FBCD	
COC[C@@H]1NC(=O)N(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1=O	849359258	NEJBTSRFTBQDFB-AWEZNQCLSA-N	367.427	-0.012	10	20	FBCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@H]1[C@@H]2CNC[C@@H]21	851669140	WUPDPTATMLYNNX-ZSHCYNCHSA-N	364.471	-0.062	10	20	FBCD	
CN1CCN(S(=O)(=O)N2CCN(Cc3ccc(N)cc3)CC2)CC1	1120268800	JMOXLNGYTCHOPI-UHFFFAOYSA-N	353.492	-0.121	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N3CCN(C)C(=O)C3)C2)cc1	846741473	SZMCFMAVBDLVGQ-AWEZNQCLSA-N	374.441	-0.062	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3COC[C@@H]3O)CC2)cc1	872218284	LTJTZPOBCBQEQH-NXHRZFHOSA-N	351.447	-0.473	10	20	FBCD	
CONC(=O)CNC(=O)C(=O)N[C@H](C)Cc1ccc(N(C)C)cc1C	1334308604	MXAIZSGRMJLZJU-GFCCVEGCSA-N	350.419	-0.098	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3CCNC(=O)C3)C2)cc1	824973964	PGTUSFSPIUPCAK-CYBMUJFWSA-N	360.414	-0.404	10	20	FBCD	
Nc1ccc(CCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1	832653267	WJBOUKZQRFMDCQ-UKRRQHHQSA-N	365.455	-0.037	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)NCC(=O)N(C)C)cc1	846098905	TUKCTVHTOSLLCE-UHFFFAOYSA-N	350.419	-0.206	10	20	FBCD	
O=C(NCCCSc1nccs1)C(=O)N1CCN2C(=O)NC[C@@H]2C1	1326642323	VOARUVRBRPWZMZ-SNVBAGLBSA-N	369.472	-0.023	10	20	FBCD	
C[C@@H](C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2)n1cnnn1	1846645380	DVJGXKALJKPDKZ-JTQLQIEISA-N	373.373	-0.443	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)ccc21	285708225	LZVPQDPIHUTOAY-OAHLLOKOSA-N	360.414	-0.602	10	20	FBCD	
CC(C)NC(=O)C(=O)N1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768443087	YSPGDBBASHLKEM-OAHLLOKOSA-N	363.414	-0.013	10	20	FBCD	
CS(=O)(=O)N1CCN(CCNC(=O)NCCc2ccc(N)cc2)CC1	841770724	PAQKEFQXPFMZEO-UHFFFAOYSA-N	369.491	-0.312	10	20	FBCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCNS(C)(=O)=O	1322597380	STISPOVAUJYZBT-UHFFFAOYSA-N	357.432	-0.204	10	20	FBCD	
CNS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1346254372	NGQFMBCHNVLHKP-LLVKDONJSA-N	356.448	-0.405	10	20	FBCD	
O=C(O)[C@@H]1CN(c2nnnn2Cc2ccc(N3CCOCC3)cc2)CCO1	1601851545	WMRTXPGLSVLPQX-HNNXBMFYSA-N	374.401	-0.152	10	20	FBCD	
C[C@@H]1CN(C(=O)C(=O)C(=O)C(=O)N2CC[C@H](c3cccnc3)C2)C[C@@H](C)N1	843058006	KVYCEEXYGYQFRD-NFAWXSAZSA-N	372.425	-0.256	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)CN(C)S(C)(=O)=O)cc2)CC1	881851714	PBKXOFRIJPGPEF-UHFFFAOYSA-N	354.476	-0.054	10	20	FBCD	
O=S1(=O)C[C@@H](NCc2cc3c(cc2O)OCO3)[C@H](N2CCOCC2)C1	265291165	ZJANJWOJBDZEQU-CHWSQXEVSA-N	370.427	-0.292	10	20	FBCD	
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)N(C)Cc1ccccc1O	1347665614	VSWOHVBVDFYNLG-WCQYABFASA-N	356.400	-0.721	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N3CCCNC(=O)C3)C2)cc1	1330385639	YVLJGNPWAKFQRL-CQSZACIVSA-N	374.441	-0.014	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCCN1S(C)(=O)=O	1347121047	BHEUAVAPJDINHX-CYBMUJFWSA-N	369.443	-0.109	10	20	FBCD	
CCC(=O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1	1796141179	NNMQKKTUVYROMB-QHBPRCKVSA-N	363.370	-0.325	10	20	FBCD	
O=C1C[C@H](C(=O)N[C@@H]2C[C@@H]3CC[C@H](C2)N3C(=O)c2cc(O)nc(O)c2)CN1	1796602879	WVCZVSSRUMAJDH-RVMXOQNASA-N	374.397	-0.119	10	20	FBCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@@H]1CNCCN1C	1578026042	OXBYCEMSTOPESB-STQMWFEESA-N	351.403	-0.408	10	20	FBCD	
O=C(CN1CCOCC1)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	276756325	WQAWDABSAKMTAP-UHFFFAOYSA-N	367.377	-0.147	10	20	FBCD	
O=C1NC[C@@H]2CN(Cc3ccc(N4CCC(O)CC4)cc3)CCN2C1=O	876800289	PLTWFIKVCPYVGU-MRXNPFEDSA-N	358.442	-0.210	10	20	FBCD	
CN(C)C(=O)CNC(=O)C(=O)N(C)Cc1ccc(N2CCOCC2)cc1	275508865	UQUGVWFDTNZMCS-UHFFFAOYSA-N	362.430	-0.314	10	20	FBCD	
CN1CCN(C(=O)CCNC(=O)C(=O)N(C)Cc2ccccc2O)CC1	1257041013	PINPHXQLNXSMIY-UHFFFAOYSA-N	362.430	-0.369	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCc2cc(C(N)=O)no2)c1	759627339	PASKEJUWVXQGEK-UHFFFAOYSA-N	354.344	-0.219	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCc1nc(O)cc(CN)n1	851692043	QEAAKZLCQNJIHS-UHFFFAOYSA-N	372.429	-0.018	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)NCCN3CCNC3=O)ccc21	897583536	MSPIDSRODFJGLF-UHFFFAOYSA-N	359.430	-0.173	10	20	FBCD	
COCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1	1787291588	JJLZPOSMFCOYLE-DRZSPHRISA-N	365.386	-0.268	10	20	FBCD	
CCS(=O)(=O)NCCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1329297008	MHKLNGYEVDZKJO-GFCCVEGCSA-N	370.475	-0.015	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H]2OCC(=O)N[C@H]2C1	1345318245	SRHJOERAZNMNGB-HOTGVXAUSA-N	374.441	-0.207	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@](C)(CO)C(=O)O)CC2)cc1	1607270807	RAYCBYIOVKZYHD-YJBOKZPZSA-N	367.446	-0.397	10	20	FBCD	
C[C@H](O)C(=O)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	270837330	FGEIFLIPKDJVGS-JTQLQIEISA-N	371.415	-0.571	10	20	FBCD	
COc1cccc(CN2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1O	370003366	AGYNJJOATUZFTG-UHFFFAOYSA-N	361.402	-0.137	10	20	FBCD	
O=C1CC[C@@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)N1	1843249754	UUESLUZSPKGVLJ-NSHDSACASA-N	360.370	-0.412	10	20	FBCD	
CCN1CCN(CC(=O)OCC(=O)c2ccc(O)c(O)c2)C(=O)C1=O	782895133	ZNYCMFBGJRMIDK-UHFFFAOYSA-N	350.327	-0.486	10	20	FBCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H]3CNCCN3C)cc2)CC1	1263125626	ONXRWTDFQQDQAW-GOSISDBHSA-N	359.474	-0.125	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)N[C@@H]3CCNC3)CC2)cc1F	1331620469	LLPOLOOKWWRYCU-GFCCVEGCSA-N	350.394	-0.039	10	20	FBCD	
CC(=O)N1CCN(c2ccc(CNC(=O)[C@H](CO)NC(N)=O)cc2)CC1	1339619216	YNUUXSKUFCDQRO-HNNXBMFYSA-N	363.418	-1.000	10	20	FBCD	
C[C@@H](CN)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2	1842872445	ZMHJWIYNKCLAGX-JTQLQIEISA-N	370.500	-0.355	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1	1261956457	ZEDIJMDYCMDLAJ-GASCZTMLSA-N	372.425	-0.250	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN(C)[C@@H]3CCNC3=O)CC2)cc1	754077028	ZANHASRJBPKUQW-FUHWJXTLSA-N	362.474	-0.002	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1	807103684	UIIQWXPYTFYZET-CQSZACIVSA-N	368.459	-0.433	10	20	FBCD	
CN1CCN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)[C@@H](CN)C1	842170406	FZZZEJQKLOAVPI-KRWDZBQOSA-N	357.458	-0.220	10	20	FBCD	
C[C@H](CN)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1	1847056907	UPCRHCOIKCFKEP-SNVBAGLBSA-N	370.500	-0.355	10	20	FBCD	
Cc1ccc(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)c(O)c1O	727003724	DDKDXXVRSGXLHX-UHFFFAOYSA-N	374.415	-0.039	10	20	FBCD	
Cc1ccc(C(=O)OCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c(O)c1O	750623006	RLAAFAIROFVPLJ-UHFFFAOYSA-N	363.326	-0.574	10	20	FBCD	
Cn1c(=O)c2c(ncn2CC(=O)NCCc2ccc(N)cc2)n(C)c1=O	237840352	YZTSQJPNADAVQK-UHFFFAOYSA-N	356.386	-0.625	10	20	FBCD	
COC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)/C=C/c1ccc(O)c(O)c1	275253735	IVPKSZUJDAWCRI-JOAKQRRISA-N	355.368	-0.090	10	20	FBCD	
COc1ccc(N2CCN(CCNC(=O)N[C@@H]3COC[C@H]3O)CC2)cc1	297247723	OGRHIWMBIVEWBV-IAGOWNOFSA-N	364.446	-0.124	10	20	FBCD	
NS(=O)(=O)c1cnn(CC(=O)OCC(=O)c2ccc(O)c(O)c2)c1	783322622	DUZGSEPIPHLLIJ-UHFFFAOYSA-N	355.328	-0.632	10	20	FBCD	
NC(=O)CC(=O)N1C[C@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	967585746	JNYDHVUEJLNLNC-MNOVXSKESA-N	362.346	-0.974	10	20	FBCD	
CCN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCS(=O)(=O)NC	1323379918	XYDGYDNYSVBBGY-UHFFFAOYSA-N	370.475	-0.234	10	20	FBCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)N[C@@H]3CNC(=O)C3)CC2)cc1	755922290	ATMGTFJDILDOKM-AFNCTOJWSA-N	372.425	-0.095	10	20	FBCD	
CCN(C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1)[C@@H]1CCNC1	1332378117	VNGPRJHSKLBOBD-HUUCEWRRSA-N	372.425	-0.254	10	20	FBCD	
COC(=O)CNC(=O)CNCc1ccc(N2CCN(C)CC2)c(F)c1	1333368525	GNTYRQSPOYFARF-UHFFFAOYSA-N	352.410	-0.044	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)c1	268458044	ZJWZQZGEHABODW-BXKDBHETSA-N	357.388	-0.474	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNCc3nnn(C)n3)CC2)cc1	819270842	JJKKBNQBYCLGNG-HNNXBMFYSA-N	361.450	-0.509	10	20	FBCD	
COc1ccc(N2CCCN(C(=O)C(=O)NCc3nnn(C)n3)CC2)cc1	1260073092	DFPRIVWMYVEIIP-UHFFFAOYSA-N	373.417	-0.426	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1F	285829617	YNZLLDOWCXSFDJ-CYBMUJFWSA-N	352.366	-0.779	10	20	FBCD	
CCNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N(C)C)c(F)c1	1325971367	JAKGEYLNRQEFHI-UHFFFAOYSA-N	374.438	-0.437	10	20	FBCD	
CN(C)c1ccc(CNC(=O)Cn2cc(-c3nn[nH]n3)c(O)nc2=O)cc1	1578997590	ATUXHTBJYUQNNK-UHFFFAOYSA-N	370.373	-0.489	10	20	FBCD	
C[C@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2	1801960903	ZTGBNRDCTDKOIV-MMWGEVLESA-N	371.484	-0.134	10	20	FBCD	
C[C@@H]1C(=O)N(C)S(=O)(=O)N1CC(=O)NCc1ccc(N(C)C)cc1	298349883	SSAWMZKWFYPGAT-LLVKDONJSA-N	354.432	-0.224	10	20	FBCD	
NC(=O)Cn1cc(C(=O)NCc2ccc(N3CCOCC3)c(F)c2)nn1	742556602	JNAQRRVFYILPLH-UHFFFAOYSA-N	362.365	-0.331	10	20	FBCD	
Cn1nnc(CNC(=O)NCc2ccc(N3CCC[C@@H](C(N)=O)C3)cc2)n1	787013575	KJAYXFIYAHWHMI-CYBMUJFWSA-N	372.433	-0.089	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CC[C@@H](C(N)=O)O1	1324899434	QSXWBEPCUYUVCB-GJZGRUSLSA-N	362.430	-0.174	10	20	FBCD	
CC(=O)NCC(=O)NCCC1=CCN(c2cnc(-c3nn[nH]n3)cn2)CC1	1573521159	SSIBCLZOMJWCDT-UHFFFAOYSA-N	371.405	-0.564	10	20	FBCD	
CN(C)c1ccc(CNC(=O)Cn2cnc(-c3nn[nH]n3)cc2=O)cc1	1604704401	MFGYRYDKQCTVRO-UHFFFAOYSA-N	354.374	-0.194	10	20	FBCD	
COc1ccc(N2CCN(CCCNC(=O)NC(CO)CO)CC2)cc1	266651035	FOJNFDRSDDEWKJ-UHFFFAOYSA-N	366.462	-0.140	10	20	FBCD	
C[C@H](NC(=O)C(=O)N1CC[C@@H](S(N)(=O)=O)C1)c1ccc(N(C)C)cc1	807674197	HXODPMWBOQHNOJ-SMDDNHRTSA-N	368.459	-0.181	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3COC[C@@H]3O)CC2)cc1	872218280	LTJTZPOBCBQEQH-JQHSSLGASA-N	351.447	-0.473	10	20	FBCD	
O=S1(=O)C[C@@H](NCc2cc3c(cc2O)OCO3)[C@@H](N2CCOCC2)C1	265291167	ZJANJWOJBDZEQU-OLZOCXBDSA-N	370.427	-0.292	10	20	FBCD	
COc1c([N+](=O)[O-])ccc(CN2CCN3C(=O)C(=O)NC[C@H]3C2)c1O	278887973	PCWVBLHKTFOGBL-JTQLQIEISA-N	350.331	-0.548	10	20	FBCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCNC3)cc2)C1	861732586	KETGKUKOMACVTM-LSDHHAIUSA-N	373.457	-0.517	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)NCc3nnn(C)n3)C2)cc1	1261447272	UFTUINJOAIGNCW-GFCCVEGCSA-N	373.417	-0.522	10	20	FBCD	
CC(=O)NCC(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2	1801659176	LRLBGGMELGLUAV-CLLJXQQHSA-N	362.386	-0.119	10	20	FBCD	
COCCN1C(=O)/C(=C\NCCCOC[C@@H]2CCCO2)C(=O)NC1=S	52536805	XDRFTUAJMRHZFS-IXJPEXDMSA-N	371.459	-0.065	10	20	FBCD	
COCCOCCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	283936823	HGGVZGMGTMPXCM-UHFFFAOYSA-N	365.430	-0.081	10	20	FBCD	
C[C@H]1CN(C(=O)C(=O)C(=O)C(=O)N2CC[C@H](c3cccnc3)C2)C[C@@H](C)N1	843058005	KVYCEEXYGYQFRD-GUTXKFCHSA-N	372.425	-0.256	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3C[C@H](O)[C@H](O)C3)CC2)cc1	905464316	FTFVKPMLWFWZQW-WQCNXYOZSA-N	365.474	-0.348	10	20	FBCD	
CC(=O)N[C@@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843250931	DEXFUVRVBCDJAF-JTQLQIEISA-N	362.386	-0.166	10	20	FBCD	
O=C1C[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)CN1	1843250997	LSUSCGHITPMLJW-NSHDSACASA-N	360.370	-0.554	10	20	FBCD	
CN(CCO)C(=O)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	793722452	LHOXGCMGHOMGDC-CQSZACIVSA-N	362.430	-0.545	10	20	FBCD	
CN(C)S(=O)(=O)N(C)CC(=O)NCc1ccc(N2CCOCC2)cc1	816899265	PUPMXNQSWVYTBP-UHFFFAOYSA-N	370.475	-0.122	10	20	FBCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1CNCCO1	827390326	QJHSUMVHAFHKKM-HNNXBMFYSA-N	353.444	-0.474	10	20	FBCD	
COc1ccc(N2CCN(CCNC(=O)C[C@H]3CC(=O)NC3=O)CC2)cc1	930941143	LDRHDHKLIJGJBC-AWEZNQCLSA-N	374.441	-0.014	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNCCn3cnnn3)CC2)cc1	1120497742	YUSKZWNKOYMATG-MRXNPFEDSA-N	361.450	-0.546	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCN2C(=O)CNC2=O)c1	264534573	YQNXAEBZCAXNMU-UHFFFAOYSA-N	370.387	-0.565	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNCC(=O)N(C)C)CC2)cc1	818940874	IQTKNRSZCGWYSJ-MRXNPFEDSA-N	350.463	-0.144	10	20	FBCD	
CC(=O)N[C@H](C)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2	1846003481	DIJMTRFLEXDHQA-SNVBAGLBSA-N	362.386	-0.166	10	20	FBCD	
CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1	288520524	KGPHSOLZDCTCCA-MRXNPFEDSA-N	372.425	-0.348	10	20	FBCD	
COc1ccc(N2CCC(NC(=O)C(=O)NCC(=O)N(C)C)CC2)cc1	782531268	PQCSMRPYYDYLFU-UHFFFAOYSA-N	362.430	-0.015	10	20	FBCD	
CN1CCN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)[C@H](CN)C1	842149836	HINJHLPCZNMVIK-MRXNPFEDSA-N	359.474	-0.214	10	20	FBCD	
CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1ccc(C)c(O)c1O	854381446	KBKFDEQRKJKJHO-LBPRGKRZSA-N	366.370	-0.073	10	20	FBCD	
O=C(C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1)C(=O)N1CCCNCC1	1326992009	VXFIRMSGJCTXTH-CQSZACIVSA-N	358.398	-0.642	10	20	FBCD	
COc1cccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c1O	264290813	UORIAXSRRKZEBW-UHFFFAOYSA-N	373.369	-0.536	10	20	FBCD	
COc1ccc(N2CCN(C(=O)c3cn(CC(N)=O)nn3)CC2)cc1F	753745445	NHKDDZKVQWEHTE-UHFFFAOYSA-N	362.365	-0.127	10	20	FBCD	
C[C@@H]1CN(C(=O)C(=O)C(=O)C(=O)N2CC[C@@H](c3cccnc3)C2)CCN1	843058363	PTRCJOJTOSRGSU-TZMCWYRMSA-N	358.398	-0.644	10	20	FBCD	
C[C@H](NC(=O)c1c(F)ccc(O)c1O)C(=O)N1CCS(=O)(=O)CC1	276620759	QXIFKBIVXBLKLP-QMMMGPOBSA-N	360.363	-0.388	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCO[C@H](C(=O)OC)C3)nc12	728574037	NQPGUKGVXNUTGZ-LBPRGKRZSA-N	364.358	-0.015	10	20	FBCD	
O=C1CN(C(=O)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CCN1	830628204	PHLVJYDAOSEVIS-UHFFFAOYSA-N	360.414	-0.778	10	20	FBCD	
CNC[C@H]1CCCN1C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1	843058221	OWBJLGKKIPLEJV-HUUCEWRRSA-N	372.425	-0.254	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNC[C@]3(O)CCOC3)CC2)cc1	1262570430	VVVZXUZLMPCGCV-PKOBYXMFSA-N	365.474	-0.081	10	20	FBCD	
NCC(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1	1787291203	LMRAXLJJYJRJIQ-DLOVCJGASA-N	350.375	-0.955	10	20	FBCD	
COCC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2	1795203729	MCFACCOVZZMGFA-QHBPRCKVSA-N	351.359	-0.658	10	20	FBCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CN3CCNC(=O)C3)cc2)CC1	907639875	LFQMBKPPEMYWQF-UHFFFAOYSA-N	373.457	-0.597	10	20	FBCD	
C[C@H](NC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1)c1ccc(N(C)C)cc1	807674195	HXODPMWBOQHNOJ-FZMZJTMJSA-N	368.459	-0.181	10	20	FBCD	
CS(=O)(=O)N1CCN(CCNC(=O)c2c(F)ccc(O)c2O)CC1	825521931	HDTKMTGOAAKKOT-UHFFFAOYSA-N	361.395	-0.456	10	20	FBCD	
COC(OC)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843249128	ZKJOFJHAAGUCGR-UHFFFAOYSA-N	351.359	-0.071	10	20	FBCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCNC3)cc2)C1	851686929	KETGKUKOMACVTM-GJZGRUSLSA-N	373.457	-0.517	10	20	FBCD	
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCC[S@@](C)=O)N(C)C)cc1	930022300	WGWIUELQRRHQMU-ODCWNRFASA-N	368.503	-0.034	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1	1323626640	YZLISGBFTSJREV-UHFFFAOYSA-N	355.416	-0.642	10	20	FBCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)Cn1ncn(C)c1=O	1337827101	WHOORTLGOJYAEZ-NSHDSACASA-N	364.358	-0.716	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)NC[C@@H]1CCN(S(C)(=O)=O)C1	1343220048	ACSQYJUSGHJANC-LBPRGKRZSA-N	369.443	-0.252	10	20	FBCD	
CCS(=O)(=O)NCCS(=O)(=O)Nc1ccc(O)cc1C(=O)O	274895158	GYJLIUTUIJRADZ-UHFFFAOYSA-N	352.390	-0.229	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccno1)C2)c1cc(O)nc(O)c1	1796137387	KOAHGAPSALYMSK-QHBPRCKVSA-N	374.353	-0.002	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C	53914768	JMYPEPYFMODDMH-UHFFFAOYSA-N	357.370	-0.202	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN(C)C[C@H](O)CN)CC2)cc1	923366602	NXKONESFECOUFB-IAGOWNOFSA-N	352.479	-0.571	10	20	FBCD	
C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NCCc1ccc(O)c(O)c1	762263273	DLJIAHGPVYFSLQ-SNVBAGLBSA-N	368.415	-0.143	10	20	FBCD	
CN(C)S(=O)(=O)NCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	816891341	QCCMXSYBCOOCDC-UHFFFAOYSA-N	374.438	-0.326	10	20	FBCD	
C[C@@H](NC(=O)C(=O)NCCNS(C)(=O)=O)c1ccc(N(C)C)cc1	1323232888	NXTJWLLDXAPWGW-LLVKDONJSA-N	356.448	-0.405	10	20	FBCD	
C[C@H](NC(=O)C(=O)NCc1nnn(C)n1)c1ccc(N2CCOCC2)cc1	1323629732	QXTZSOSMRURNMJ-LBPRGKRZSA-N	373.417	-0.460	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@@H](C(=O)O)C[C@@H](O)C2)c1	1599761577	UBQVCFKPOFRYCG-WCBMZHEXSA-N	358.372	-0.329	10	20	FBCD	
Cn1cnn(CC(=O)NCc2ccc(N3CCC(O)CC3)c(F)c2)c1=O	179528056	VOWOJDIKCRCWPM-UHFFFAOYSA-N	363.393	-0.002	10	20	FBCD	
CCNc1nc(NCC)n2c(SCC(=O)N[C@@H](C)CO)nnc2n1	269569239	PGBZCCNQTLLDDX-QMMMGPOBSA-N	354.440	-0.028	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@H](S(N)(=O)=O)C3)nc12	769655910	KDUWAJGPNIVPOV-JTQLQIEISA-N	369.403	-0.526	10	20	FBCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1	1325022792	HSDCFWKRINAGMG-NEPJUHHUSA-N	368.411	-0.250	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)NC[C@@H]1COCCO1	1325736684	PFGGQIHAWDMIRW-MRXNPFEDSA-N	363.414	-0.329	10	20	FBCD	
CN1CCN(c2ccc(CN3CCN4C(=O)C(=O)NC[C@H]4C3)cc2)CC1	775737140	PPKAHUDHZJWCKU-KRWDZBQOSA-N	357.458	-0.419	10	20	FBCD	
Cc1cc(N(C)C)ccc1C[C@H](C)NC(=O)C(=O)N1C[C@@H](CO)[C@@H](O)C1	817862423	YIITZUUUEYJVNT-QRTARXTBSA-N	363.458	-0.080	10	20	FBCD	
CO[C@H]1CS(=O)(=O)C[C@H]1N1C(=O)CN(Cc2ccccc2O)C1=O	849362247	QVJRCWJCRHJKKW-YPMHNXCESA-N	354.384	-0.032	10	20	FBCD	
CN(CC(=O)NCc1ccc(N(C)C)cc1)C[C@H](O)CN1CCOCC1	83245712	MOOXRJCQUUFCHE-SFHVURJKSA-N	364.490	-0.006	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCO[C@@H](C(=O)NC)C3)nc12	272893291	OEKBYTLAEPCDCA-GFCCVEGCSA-N	363.374	-0.442	10	20	FBCD	
CN(C)c1ccc([C@H](N)CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1	832299541	CMGDGEKGXMIQQN-JKSUJKDBSA-N	368.503	-0.013	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)N[C@H]3CCS(=O)(=O)C3)ccc21	1337881717	YKYAIRQKYGDOGL-AWEZNQCLSA-N	365.455	-0.012	10	20	FBCD	
CN1CCNC[C@@H]1C(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	1340185111	RLZBEZGKDUWOTJ-DOTOQJQBSA-N	359.474	-0.092	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)OCCCN2C(=O)CNC2=O)c1	733464665	QNUQPWSDDBNYKS-UHFFFAOYSA-N	371.371	-0.138	10	20	FBCD	
CS(=O)(=O)CCNC(=O)C(=O)NCCCSc1nccs1	788393170	QAQNJDDQTWRKGX-UHFFFAOYSA-N	351.475	-0.098	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN3CC(=O)N[C@@H](C)C3)CC2)cc1	831762248	CCWHHGNGJYALIZ-DOTOQJQBSA-N	362.474	-0.002	10	20	FBCD	
COc1ccc(N2CCN(CCNC(=O)C[C@@H]3CC(=O)NC3=O)CC2)cc1	930941144	LDRHDHKLIJGJBC-CQSZACIVSA-N	374.441	-0.014	10	20	FBCD	
CCONC(=O)CNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	1336831248	KZIYATNVWNHNMR-MRXNPFEDSA-N	366.462	-0.165	10	20	FBCD	
O=C(c1cccc(O)c1O)N1CCN([C@H]2CS(=O)(=O)C[C@H]2O)CC1	790619771	ZGJZDPNHTYYRIQ-WCQYABFASA-N	356.400	-0.987	10	20	FBCD	
CN1CCN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)[C@@H](CN)C1	842149043	UEONIFASXJEYCM-ZDUSSCGKSA-N	351.426	-0.391	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3CCOC[C@H]3O)CC2)cc1	872252690	GDYGIXFMLQPPHV-QXAKKESOSA-N	365.474	-0.083	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@H](CO)[C@H](O)C3)nc12	787997585	USBHEXUMXRKOBN-GXFFZTMASA-N	350.375	-0.213	10	20	FBCD	
COCCCS(=O)(=O)NCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1	832267631	YAQOXOHWZZOIOF-OAHLLOKOSA-N	372.491	-0.176	10	20	FBCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@H]1COCCO1	918338198	XZEUEFLIKLXOIW-HNNXBMFYSA-N	354.428	-0.047	10	20	FBCD	
O=C(O)CN(CC(=O)N1CCNC(=O)C1)Cc1cc(Cl)ccc1O	739783599	AXGKNHXZYLOIPX-UHFFFAOYSA-N	355.778	-0.109	10	20	FBCD	
CCC(=O)N1CCO[C@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1	1834811400	JAAKJQWKWQTFLQ-QGZVFWFLSA-N	365.386	-0.027	10	20	FBCD	
C[C@H]1C(=O)NCCN1C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	898326069	JLWFJEJYSJQNTA-AWEZNQCLSA-N	373.457	-0.599	10	20	FBCD	
C[S@@](=O)CCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	1325610384	CEPHZBASAQJZTH-XMMPIXPASA-N	353.444	-0.366	10	20	FBCD	
O=C(NCCCSc1nccs1)C(=O)N1CCN2C(=O)NC[C@H]2C1	1326642322	VOARUVRBRPWZMZ-JTQLQIEISA-N	369.472	-0.023	10	20	FBCD	
COc1cc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])cc1OC	271050547	PSSKANYXDAFSLL-SECBINFHSA-N	350.331	-0.241	10	20	FBCD	
CO[C@@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	826707881	ZBGQNVUECBKEMX-UONOGXRCSA-N	369.443	-0.703	10	20	FBCD	
CN(C)C(=O)CNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	1330779816	QCSMUXLIBKYEKO-UHFFFAOYSA-N	362.430	-0.532	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)NCC(=O)N(C)C)C2)cc1	824591003	OWPDVEAURJARIK-ZDUSSCGKSA-N	362.430	-0.158	10	20	FBCD	
CO[C@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1	1783988746	WXYJMHWONWCWPY-PIGZYNQJSA-N	365.386	-0.029	10	20	FBCD	
CC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)CN1C(=O)CSC1=S	1802104695	GEUVYULNTVCRDG-DDFAGTSDSA-N	357.457	-0.544	10	20	FBCD	
CC(=O)C(=O)COC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1	808527356	DQZMADMJHWYXMI-QMMMGPOBSA-N	356.356	-0.846	10	20	FBCD	
CCOC(=O)CNC(=O)[C@H]1COCCN1C(=O)c1ccc(C)c(O)c1O	854381442	KBKFDEQRKJKJHO-GFCCVEGCSA-N	366.370	-0.073	10	20	FBCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CN3C(=O)CNC3=O)cc2)C1	1317998334	MSZQIJNUURMFSW-ZDUSSCGKSA-N	373.413	-0.444	10	20	FBCD	
CN(CCC(N)=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1333801822	MMQNKJSOHUDRJC-UHFFFAOYSA-N	368.459	-0.062	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)c1cn(CC(N)=O)nn1	745469594	WKNZFRCQSSFYSD-UHFFFAOYSA-N	374.401	-0.355	10	20	FBCD	
O=C(CN1CCNCC1=O)NCc1ccc(N2CCOCC2)c(F)c1	237684335	QAZBUNGSAGITMI-UHFFFAOYSA-N	350.394	-0.290	10	20	FBCD	
CC(=O)NCCN(C)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	834582058	DXXNUFQYEVBTIK-UHFFFAOYSA-N	362.430	-0.266	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCCCS(N)(=O)=O)c1	299091595	NOEOMKRSTPIACL-UHFFFAOYSA-N	351.406	-0.828	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)NCC[S@@](C)=O)CC2)cc1F	1117278138	JEGAJUQLCICDBQ-RUZDIDTESA-N	371.434	-0.022	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N[C@H]1CCC(=O)N(C)C1=O	1332047164	VVGRPCZKOLBRNA-AWEZNQCLSA-N	360.414	-0.059	10	20	FBCD	
CC(=O)NCCCNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	788313326	QUKXNBJNIYSRRJ-UHFFFAOYSA-N	362.430	-0.218	10	20	FBCD	
NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)O1	1347080110	ISGQWJWBKIOHJS-HZPDHXFCSA-N	372.425	-0.172	10	20	FBCD	
CO[C@@H](C)C(=O)N1CC[C@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1	1783988738	WXYJMHWONWCWPY-APPDUMDISA-N	365.386	-0.029	10	20	FBCD	
O=C(C[C@H]1COCCN1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	827394771	CTWAMWARQVLTMP-HNNXBMFYSA-N	367.471	-0.084	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C[C@H](NC(C)=O)C(N)=O)cc1	846445525	ACMALENTSNUYCS-HNNXBMFYSA-N	350.419	-0.030	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H](O)Cn2ccnn2)c1	857536261	NQBZFTYSHVEADS-SNVBAGLBSA-N	355.376	-0.854	10	20	FBCD	
CCNc1nc(NCC)n2c(SCC(=O)NC[C@@H](C)O)nnc2n1	271088238	QXYMPMJZJJOTLS-MRVPVSSYSA-N	354.440	-0.028	10	20	FBCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@]1(O)CCOC1	855396591	OVMDVMGPFOSVIW-INIZCTEOSA-N	354.428	-0.311	10	20	FBCD	
NC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1	288562936	NFDKSVVQZQNPII-OAHLLOKOSA-N	358.398	-0.608	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)Nc3cnnn3C)cc2)CC1	1350147983	UTBRTOLINQQEML-UHFFFAOYSA-N	357.418	-0.178	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1cnoc1	1796524554	XVEUIGXQZWCHTL-JJLQDPRZSA-N	374.353	-0.002	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)c3cnn(C[C@H](O)CO)c3)cc2)CC1	918847358	ZUZQUNKKVYMQAL-SFHVURJKSA-N	373.457	-0.082	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCC[C@@H](O)[C@@H]2C(=O)O)c1	1599761568	SCPURKZEPXFOGR-VXGBXAGGSA-N	358.372	-0.186	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)cc1	785421228	AWINFVBFKGBFGQ-CYBMUJFWSA-N	354.432	-0.742	10	20	FBCD	
COCCN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1=O	271133750	QDRJWBXBVGRYRY-UHFFFAOYSA-N	371.415	-0.306	10	20	FBCD	
COc1ccc(N2CCN(CCNC(=O)C(=O)N(C)OC)CC2)cc1	1322180465	WOXDFCODZKLLQX-UHFFFAOYSA-N	350.419	-0.047	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N(C)[C@H]2CCNC2=O)cc1	1329701582	AHJCVNCRLGHAGP-HNNXBMFYSA-N	362.430	-0.063	10	20	FBCD	
CNC[C@@H](O)CNC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843081426	RUXJLBJUCSMQCH-SJORKVTESA-N	352.479	-0.652	10	20	FBCD	
CN(C)CC(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2	1842680812	ZEBWLYKTYUKNIM-UHFFFAOYSA-N	370.500	-0.388	10	20	FBCD	
COc1ccc(O)c(CNC(=O)CNS(=O)(=O)c2cnn(C)c2)c1	734018394	PDIFAGRGMUDZQU-UHFFFAOYSA-N	354.388	-0.271	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1F	1257536393	NWVCBFJYGLKCQR-FZMZJTMJSA-N	366.393	-0.343	10	20	FBCD	
Cn1cnc(CNC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)n1	1321546275	AUERBLQHCHLCHK-UHFFFAOYSA-N	358.402	-0.416	10	20	FBCD	
C[C@@H](CN)NC(=O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1347074515	VMDDTDAKNGVPQJ-LBPRGKRZSA-N	368.459	-0.999	10	20	FBCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@H]2CCCN(S(N)(=O)=O)C2)cc1	852791581	JTIJVOBZBLBODD-DZGCQCFKSA-N	369.491	-0.216	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N[C@@H]1CCC(=O)N(C)C1=O	1326258701	DILLPPOHGIXOQB-CQSZACIVSA-N	360.414	-0.025	10	20	FBCD	
CCN(CC(N)=O)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	789518117	OIEKZTIABROZFA-INIZCTEOSA-N	350.463	-0.015	10	20	FBCD	
COc1ccc(N2CCCN(C(=O)C(=O)N3CCNC(=O)C3)CC2)cc1	839259567	TWXNTNGEMMJUDI-UHFFFAOYSA-N	360.414	-0.308	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)CN3CCC(=O)NC3=O)cc2)CC1	881852232	ZPIHJFXOJHJMGH-UHFFFAOYSA-N	359.430	-0.004	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)N3CCN4C(=O)NC[C@@H]4C3)ccc21	1257535529	JOQSHJGGCVPKSN-OAHLLOKOSA-N	371.441	-0.079	10	20	FBCD	
COc1cccc(CN2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1O	271048316	SRJOBJHAVAKHOY-UHFFFAOYSA-N	363.414	-0.096	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H](CO)C(=O)O)CC2)cc1	1599585029	FACQZNYHVLUMLP-ZBFHGGJFSA-N	353.419	-0.787	10	20	FBCD	
COC(=O)[C@@]1(NC(=O)c2cc(NS(C)(=O)=O)ccc2O)CCOC1	271363875	IMYGBKHINQRVPE-CQSZACIVSA-N	358.372	-0.174	10	20	FBCD	
O=C(N[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)c1cccc(O)c1O	280656098	OCQXAUDHRJDWRP-NEPJUHHUSA-N	356.400	-0.675	10	20	FBCD	
COC[C@H]1NC(=O)N(Cc2ccc(N3CCS(=O)(=O)CC3)cc2)C1=O	849359259	NEJBTSRFTBQDFB-CQSZACIVSA-N	367.427	-0.012	10	20	FBCD	
COc1cc(C(=O)N[C@@H](C)CCNC(=O)[C@H]2C[C@H]2C(N)=O)cc(OC)n1	1078486877	UCYBPWQYOGFGOK-WCQGTBRESA-N	364.402	-0.155	10	20	FBCD	
O=C(C[C@@H]1CNCCO1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	827389091	KPYLVGVNTBCJJS-MRXNPFEDSA-N	367.471	-0.084	10	20	FBCD	
O=C(/C=C\c1ccc(O)c(O)c1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1	1320031227	OFKNAINDJQTJKM-QQHVMHFCSA-N	368.411	-0.079	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNC[C@H]3CNC(=O)C3)CC2)cc1	819365913	DUXAYNSWTLIOBL-RDJZCZTQSA-N	362.474	-0.096	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCOC[C@H]3C(=O)O)nc12	829890398	QQTCAIHEKXWYER-NSHDSACASA-N	350.331	-0.103	10	20	FBCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CN3CCNCC3)cc2)CC1	876909596	CHDBTTRCCRAJRS-UHFFFAOYSA-N	359.474	-0.124	10	20	FBCD	
COCCN1C(=O)/C(=C/Nc2ccc3c(c2)C(=O)NC3=O)C(=O)NC1=S	920978886	MDYXCTFNRPFRHA-YRNVUSSQSA-N	374.378	-0.244	10	20	FBCD	
O=C(C(=O)C(=O)N1CC[C@@H]2CNC[C@@H]21)C(=O)N1CC[C@@H](c2cccnc2)C1	1326502933	PWKGBNCXBPEFMS-KFWWJZLASA-N	370.409	-0.644	10	20	FBCD	
COC(=O)[C@H]1COCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	271217728	BSCICBIWZSCNLJ-LLVKDONJSA-N	358.372	-0.222	10	20	FBCD	
CNS(=O)(=O)CC(=O)NCc1ccc(N2CCC[C@H](C(N)=O)C2)cc1	751564120	VOKBUGVSMLUTKZ-ZDUSSCGKSA-N	368.459	-0.446	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CC[C@H](S(N)(=O)=O)C1	807103677	UIIQWXPYTFYZET-AWEZNQCLSA-N	368.459	-0.433	10	20	FBCD	
O=C(NCc1ccc(N2CCC(O)CC2)cc1)[C@@H]1CCS(=O)(=O)N1	1328510013	XMUYZWMXGHMORX-HNNXBMFYSA-N	353.444	-0.044	10	20	FBCD	
O=C(CN1CCN(Cc2ccccc2O)CC1)N[C@H]1CCS(=O)(=O)C1	770510893	UNRVFRWRDIDKIQ-HNNXBMFYSA-N	367.471	-0.187	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@H]1CCS(=O)(=O)N1	845367738	HPIBEMAEDDSFOI-CQSZACIVSA-N	369.443	-0.054	10	20	FBCD	
Cn1cnc(S(=O)(=O)NCC(=O)NCCc2ccc(O)c(O)c2)c1	768903550	INXUSQKDZYWAMJ-UHFFFAOYSA-N	354.388	-0.532	10	20	FBCD	
NC(=O)c1cnn2c(C(=O)Nc3nc(C4=S=CC=C4)n[nH]3)ccnc12	763806621	QGPBQHMGXIKECQ-UHFFFAOYSA-N	354.355	-0.176	10	20	FBCD	
CN(C)C(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1078253600	IVMMKEYQDPEIGR-CHWSQXEVSA-N	362.390	-0.288	10	20	FBCD	
CN(C)c1ccc([C@H](CNC(=O)C(=O)N=c2nc[nH]n2C)N(C)C)cc1	1349404047	OWRZWHSTFNGPMW-AWEZNQCLSA-N	359.434	-0.339	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCNC(=O)c1cc[nH]n1	1325664828	AYKIXOVFRMYLTH-UHFFFAOYSA-N	372.429	-0.053	10	20	FBCD	
COC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	1322537701	PXKRIODEMHOETJ-CQSZACIVSA-N	367.377	-0.092	10	20	FBCD	
CN(C)c1ccc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)cc1	15334885	AQEBYBINIOEOMQ-UHFFFAOYSA-N	352.416	-0.372	10	20	FBCD	
CO[C@H]1CS(=O)(=O)C[C@@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	826707871	ZBGQNVUECBKEMX-KBPBESRZSA-N	369.443	-0.703	10	20	FBCD	
CNCC(=O)NCCS(=O)(=O)N1CCN(c2ccc(OC)cc2)CC1	851643282	SFRRWMDUZQSGEP-UHFFFAOYSA-N	370.475	-0.517	10	20	FBCD	
CCOC(=O)[C@@H](N)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	852872865	MFUDRXPYBTZVGG-INIZCTEOSA-N	364.446	-0.176	10	20	FBCD	
COc1ccc(N2CCN(S(=O)(=O)N3CCNCC3)CC2)c(OC)c1	923665629	OENPVXANSZZHGZ-UHFFFAOYSA-N	370.475	-0.024	10	20	FBCD	
CC(C)CN1C(=O)/C(=C\Nc2n[nH]cc2-c2nn[nH]n2)C(=O)NC1=S	1609095775	OHANQQRJNVREMC-BAQGIRSFSA-N	361.391	-0.215	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@H]3C[C@H](O)[C@H](O)C3)CC2)cc1	905464298	FTFVKPMLWFWZQW-OPNNQBFTSA-N	365.474	-0.348	10	20	FBCD	
CCOC(=O)[C@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O	763279953	OBECYSKQADVSAR-CQSZACIVSA-N	360.388	-0.192	10	20	FBCD	
Cc1ccc(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)c(O)c1O	780907609	QNGDZVNVNHSWBW-UHFFFAOYSA-N	357.432	-0.287	10	20	FBCD	
COc1ccc(N2CCN(CCNC(=O)C(=O)N(C)CCN)CC2)cc1	842152911	MCDNUBFDEIQQDP-UHFFFAOYSA-N	363.462	-0.650	10	20	FBCD	
NC[C@H]1OCC[C@@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1333636169	PXTNAYVREHIPTD-JKSUJKDBSA-N	367.471	-0.099	10	20	FBCD	
COc1ccc(O)c(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1	271918451	ZLAGMSHRYAMMDO-HUUCEWRRSA-N	356.444	-0.012	10	20	FBCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)N[C@@H]1CCNC1	861769423	JHCFKRRHMDQRSO-CYBMUJFWSA-N	364.421	-0.119	10	20	FBCD	
O=C(C(=O)C(=O)N1C[C@@H]2CNC[C@@H]2C1)C(=O)N1CC[C@@H](c2cccnc2)C1	1118241736	MCQHIOBMGNYEBN-KFWWJZLASA-N	370.409	-0.787	10	20	FBCD	
CN(CC(=O)N1CCOCC1)C(=O)c1cc(NS(C)(=O)=O)ccc1O	920434011	WVFDVRMHXHDDIK-UHFFFAOYSA-N	371.415	-0.306	10	20	FBCD	
COCCN(CC(=O)N(C)C)C(=O)c1cc(NS(C)(=O)=O)ccc1O	271284691	OLOSBNADCHMODQ-UHFFFAOYSA-N	373.431	-0.060	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)COC(=O)[C@@H]1CCS(=O)(=O)N1	845367735	HPIBEMAEDDSFOI-AWEZNQCLSA-N	369.443	-0.054	10	20	FBCD	
COC[C@@H](CO)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	852500929	SVDLWACJIZLSDV-CQSZACIVSA-N	371.459	-0.272	10	20	FBCD	
C[C@@H](C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1)S(C)(=O)=O	1347856207	CJWQSKXYVSMUQA-LBPRGKRZSA-N	374.484	-0.029	10	20	FBCD	
Cn1ncnc1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843249276	RILBYZQZCJKRFS-UHFFFAOYSA-N	358.358	-0.248	10	20	FBCD	
C[C@H](NC(=O)C(=O)NCC(=O)N1CCOCC1)c1ccc(N(C)C)cc1	1117305775	DKEQHNVZAAHBPV-ZDUSSCGKSA-N	362.430	-0.095	10	20	FBCD	
Nc1ccc(CC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@H]3O)CC2)cc1	1328205069	KFFIDFCSYMEITQ-LSDHHAIUSA-N	353.444	-0.887	10	20	FBCD	
CC(=O)N[C@@H](CC(=O)N(CC(=O)O)Cc1cc(Cl)ccc1O)C(N)=O	1589153236	UNMPPNATMIZCHZ-NSHDSACASA-N	371.777	-0.161	10	20	FBCD	
NC(=O)N=Nc1ccc(C(=O)N[C@@H]2CN([C@H]3CCNC3=O)C[C@@H]2O)cc1	1084108811	GOEFKJNGVVKQLT-AGIUHOORSA-N	360.374	-0.488	10	20	FBCD	
CO[C@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)N(C)Cc1ccccc1O	1347665616	VSWOHVBVDFYNLG-YPMHNXCESA-N	356.400	-0.721	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CCN(S(C)(=O)=O)CC2)cc1	283579125	SKBNMKSRLHQRDO-UHFFFAOYSA-N	368.459	-0.527	10	20	FBCD	
C[C@@H](O)CN(CCO)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	289995941	YQCUSQCHLVJSHM-CQSZACIVSA-N	369.437	-0.046	10	20	FBCD	
CCS(=O)(=O)NCCS(=O)(=O)NCc1ccc(OC)cc1O	795358446	QFRWQHDMDWBOEW-UHFFFAOYSA-N	352.434	-0.241	10	20	FBCD	
CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)c1ccc(OCC(=O)O)cc1	1610109094	UIUBLRRFWRGQRT-NSHDSACASA-N	356.400	-0.111	10	20	FBCD	
Cn1cc(S(=O)(=O)NCC(=O)NCCc2ccc(O)c(O)c2)cn1	762261731	POAZSMUTOOWNIT-UHFFFAOYSA-N	354.388	-0.532	10	20	FBCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NCCCON	911506492	LOEHFBCLHXWJLG-UHFFFAOYSA-N	350.419	-0.122	10	20	FBCD	
COCCN1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)CC1=O	1321592501	FOILXAMAUUQGEZ-UHFFFAOYSA-N	362.430	-0.314	10	20	FBCD	
C[C@H]1CN(c2nnnn2Cc2ccc(N3CCOCC3)cc2)CC(=O)N1	1352234121	SBDVSDYSAHDSIW-ZDUSSCGKSA-N	357.418	-0.117	10	20	FBCD	
C[C@@H]1CN(C(=O)C(=O)C(=O)C(=O)N2CC[C@@H](c3cccnc3)C2)C[C@@H](C)N1	843058007	KVYCEEXYGYQFRD-UMVBOHGHSA-N	372.425	-0.256	10	20	FBCD	
NC(=O)[C@@H]1CC[C@H](CNC(=O)C(=O)NCCCSc2nccs2)O1	1323483502	YVHISSKJJPTPOA-ZJUUUORDSA-N	372.472	-0.109	10	20	FBCD	
Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c(O)c1O	272745023	IYVLRHDBCNZROI-JTQLQIEISA-N	356.400	-0.171	10	20	FBCD	
COC(=O)C[C@H](N)C(=O)NCc1ccc(N2CCN(C(C)=O)CC2)cc1	832173968	ZIESJEOJHNTKTL-INIZCTEOSA-N	362.430	-0.138	10	20	FBCD	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C(=O)N[C@@H]1CCNC1	861737103	SZGXCIGVJDBUHA-GFCCVEGCSA-N	368.384	-0.104	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)CNC(=O)[C@H]3CCCN3)cc2)CC1	1330982243	KXRVXXLNKFLFOY-QGZVFWFLSA-N	359.474	-0.077	10	20	FBCD	
CN(C)c1ccc([C@@H](CNC(=O)C(=O)N=c2nc[nH]n2C)N(C)C)cc1	1349404049	OWRZWHSTFNGPMW-CQSZACIVSA-N	359.434	-0.339	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)NCC[S@](C)=O)CC2)cc1F	1117278139	JEGAJUQLCICDBQ-VWLOTQADSA-N	371.434	-0.022	10	20	FBCD	
O=C1CC(C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)C(O)O)=NN1c1ccccc1	1847446218	DWFKCLJWFWJZNK-KBPBESRZSA-N	372.381	-0.708	10	20	FBCD	
O=C(NC1CC1)C(=O)N1CCN(C(=O)c2c(F)ccc(O)c2O)CC1	276581752	OSFRSRZFCCOZQV-UHFFFAOYSA-N	351.334	-0.200	10	20	FBCD	
O=C(Cn1cnnn1)N1CCN(Cc2ccc(N3CCOCC3)cc2)CC1	809733930	NDJPFHQFGIAGHC-UHFFFAOYSA-N	371.445	-0.146	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CCN3C(=O)NC(=O)[C@H]3C2)c1	1319279812	DOTQNXHHUWVUJZ-SNVBAGLBSA-N	368.371	-0.860	10	20	FBCD	
Cn1ncc(C(=O)COC(=O)c2cc(NS(C)(=O)=O)ccc2O)n1	791777387	RUSISKIIZRLDNN-UHFFFAOYSA-N	354.344	-0.068	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2C[C@H](O)C[C@@H](C(=O)O)C2)cc1F	1606054125	NSJBOGMRGDIYQI-VXGBXAGGSA-N	367.377	-0.198	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)c1ncc[nH]1	1794500261	ZIKNEALZFAQABH-GNXNZQSNSA-N	373.369	-0.267	10	20	FBCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cn(CC(N)=O)nn1	742498600	QVEBGBSVAYDKJR-UHFFFAOYSA-N	358.402	-0.128	10	20	FBCD	
COC(=O)CNC(=O)[C@H](C)OC(=O)c1cc(NS(C)(=O)=O)ccc1O	920637136	AHKYCOAGYMFYQE-QMMMGPOBSA-N	374.371	-0.402	10	20	FBCD	
O=S1(=O)CCN(c2ccc(CNS(=O)(=O)C3CNC3)cc2)CC1	923603955	QSIYGJATBCJRMD-UHFFFAOYSA-N	359.473	-0.687	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)CNC(=O)[C@@H]3CCCN3)cc2)CC1	1330982223	KXRVXXLNKFLFOY-KRWDZBQOSA-N	359.474	-0.077	10	20	FBCD	
CCS(=O)(=O)N1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CC1	1262480015	VWJRQDFCQLROSJ-UHFFFAOYSA-N	369.403	-0.400	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN3CCN(C)C(=O)C3)CC2)cc1	754043149	QDCAUWUCVTWXTO-QGZVFWFLSA-N	362.474	-0.048	10	20	FBCD	
Cn1cc(/C=C/C(=O)N2C[C@H](C(=O)O)Oc3ccccc32)c(=O)n(C)c1=O	1600947904	XZSHUTVHXSRWSK-HSBSLETESA-N	371.349	-0.024	10	20	FBCD	
COc1ccc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(O)c1	795363471	YXWIMQLMXJDJCB-UHFFFAOYSA-N	355.372	-0.723	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCO[C@@H](C(=O)O)C3)nc12	737154700	IPEAHCRBPXCBHQ-LLVKDONJSA-N	350.331	-0.103	10	20	FBCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N[C@@H]1COC[C@H]1O	820986868	WRRAPYZSUQBTGI-HUUCEWRRSA-N	369.443	-0.520	10	20	FBCD	
CNC[C@H](O)CNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843081423	RUXJLBJUCSMQCH-DLBZAZTESA-N	352.479	-0.652	10	20	FBCD	
CC(CO)(CO)NC(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	844905523	MKAOAZZEGUFYMF-CQSZACIVSA-N	364.446	-0.069	10	20	FBCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NCc1ncn(C)n1	1117389119	BTQNWCRBWMLWDW-UHFFFAOYSA-N	372.429	-0.074	10	20	FBCD	
C[C@H](CC(N)=O)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	820985628	BHZNBMUHFLFEQX-GFCCVEGCSA-N	368.459	-0.016	10	20	FBCD	
COc1ccc(O)c(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1	271918450	ZLAGMSHRYAMMDO-GJZGRUSLSA-N	356.444	-0.012	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN3CCO[C@H](CN)C3)CC2)cc1	923332421	IXUNPCVBPLNERM-IEBWSBKVSA-N	364.490	-0.162	10	20	FBCD	
C[C@H]1CN(CCC(=O)O)CCN1C(=O)C(=O)NCCc1ccc(N)cc1	1604787983	IBSRKSQHGWBCIC-ZDUSSCGKSA-N	362.430	-0.065	10	20	FBCD	
CS(=O)(=O)N1CCN(S(=O)(=O)NCCc2ccc(N)cc2)CC1	850586646	AZEXXBDEZVBANO-UHFFFAOYSA-N	362.477	-0.777	10	20	FBCD	
CNS(=O)(=O)NCC(=O)N(CC(=O)O)Cc1cc(Cl)ccc1O	1598671427	QGSPNCNJKWRGOA-UHFFFAOYSA-N	365.795	-0.487	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1nc[nH]n1)C2)c1cc(O)nc(O)c1	1796138270	OXHSUFBOESJWRV-DDFAGTSDSA-N	374.357	-0.872	10	20	FBCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CN3CCNCC3=O)cc2)CC1	832173265	QBDXIBPYKWJEOF-UHFFFAOYSA-N	373.457	-0.597	10	20	FBCD	
O=C(CN1CCS(=O)(=O)CC1)NCc1ccc(N2CCOCC2)cc1	299100601	MNSSNQNSENFYTF-UHFFFAOYSA-N	367.471	-0.130	10	20	FBCD	
CNC[C@H](O)CNC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843081425	RUXJLBJUCSMQCH-IRXDYDNUSA-N	352.479	-0.652	10	20	FBCD	
C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccccc2O)CCN1S(C)(=O)=O	1324835131	ZCBDIVUOHXWEHG-LBPRGKRZSA-N	369.443	-0.157	10	20	FBCD	
Cn1c(=O)c2c(ncn2CCC(=O)NCc2ccccc2O)n(C)c1=O	299470068	GAUVWKUMGLQAJU-UHFFFAOYSA-N	357.370	-0.154	10	20	FBCD	
O=C(NCc1ccc(N2CCC(O)CC2)c(F)c1)C(=O)N[C@H]1CCNC1	851686122	JHCFKRRHMDQRSO-ZDUSSCGKSA-N	364.421	-0.119	10	20	FBCD	
COc1cc(C(=O)NC2CN(C(=O)[C@@H]3C[C@H]3[N+](=O)[O-])C2)cc(OC)n1	996369364	UVZBDNQTOKPGKF-GHMZBOCLSA-N	350.331	-0.295	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CNC(=O)C3)cc2)CC1	1350483077	LQJSZGOLPLHWHF-OAHLLOKOSA-N	373.457	-0.693	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3CC[C@](O)(C(=O)O)C3)CC2)cc1	1599585169	NWSYVPGANFHBQG-GOSISDBHSA-N	363.414	-0.135	10	20	FBCD	
C[C@@]1(C(N)=O)CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1	284095323	PICAEHLBCVFQNM-LJQANCHMSA-N	374.441	-0.137	10	20	FBCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)C1=C[C@@H](O)[C@@H](O)[C@H](O)C1	854987541	HDDZIUOTEVNTJB-BFYDXBDKSA-N	365.382	-0.303	10	20	FBCD	
COc1ccc(N2CC[C@@H](CNC(=O)C(=O)N3CCNC(=O)[C@H]3C)C2)cc1	824973842	NAZMQFUWIZCGEI-KGLIPLIRSA-N	374.441	-0.015	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NCC(=O)N2CCOCC2)cc1F	1322534717	AAQYYKZTZNVEPJ-UHFFFAOYSA-N	366.393	-0.517	10	20	FBCD	
O=C(Cn1ccc(=O)[nH]c1=O)NCc1ccc(N2CCOCC2)c(F)c1	58528318	VVSSLIIKZGXYLU-UHFFFAOYSA-N	362.361	-0.171	10	20	FBCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CN2CCS(=O)(=O)CC2)cc1	844162532	HNFQIPDARMLMSY-HNNXBMFYSA-N	354.476	-0.401	10	20	FBCD	
COC(=O)CNC(=O)COC(=O)c1cc(NS(C)(=O)=O)ccc1O	920637068	YSVPRHYKISHISD-UHFFFAOYSA-N	360.344	-0.790	10	20	FBCD	
COC[C@@H](O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1199271042	QHYKXUQNDZUOGA-BFHYXJOUSA-N	365.390	-0.369	10	20	FBCD	
CC(C)NS(=O)(=O)CCNC(=O)C(=O)N(C)Cc1ccccc1O	1321975653	XATZIIDHLYGKNY-UHFFFAOYSA-N	357.432	-0.205	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NC[C@H]1CC[C@@H](C(N)=O)O1	1329685308	WWGXTZNGQSQFLD-CABCVRRESA-N	362.430	-0.140	10	20	FBCD	
CCNC(=O)CNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	1346236323	DWXGTOIJTQCHOX-MRXNPFEDSA-N	350.463	-0.096	10	20	FBCD	
O=C(CN1C[C@@H](O)[C@H](O)C1)NCc1ccc(N2CCOCC2)c(F)c1	278601197	DWLCAIQRRZHHNL-HZPDHXFCSA-N	353.394	-0.684	10	20	FBCD	
CCNC(=O)CN1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)CC1	1330949250	STMUQZVKRBJLRY-UHFFFAOYSA-N	362.430	-0.369	10	20	FBCD	
O=C(NCCC1=CCN(c2ccc(-c3nn[nH]n3)nn2)CC1)c1nc[nH]n1	1593060336	POLFXNHXWSHFEV-UHFFFAOYSA-N	367.377	-0.269	10	20	FBCD	
CC[C@@H](O)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1	1847050549	BYGQEGXPZWCMHE-SNVBAGLBSA-N	371.484	-0.179	10	20	FBCD	
CONC(=O)CNC(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	915146486	SORGOJCHPXHKAV-UHFFFAOYSA-N	365.434	-0.206	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)c3cnn(C[C@@H](O)CO)c3)cc2)CC1	918847355	ZUZQUNKKVYMQAL-GOSISDBHSA-N	373.457	-0.082	10	20	FBCD	
CN(CCNS(C)(=O)=O)C(=O)C(=O)NCc1ccc(N(C)C)cc1	1321420812	VXOISMRDRYNGGN-UHFFFAOYSA-N	356.448	-0.624	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)NC[C@@H]3CC[C@@H](C(N)=O)O3)ccc21	1329664692	IKJRGCAEDGOPEN-HOCLYGCPSA-N	374.441	-0.166	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)CN3C(=O)CN(C)C3=O)cc2)CC1	918892358	HRZHCIOOPXZYBV-UHFFFAOYSA-N	359.430	-0.051	10	20	FBCD	
COc1ccc(O)c([C@H](C)NS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1	751319348	VPTQDDLCHIZTNQ-VIFPVBQESA-N	369.399	-0.162	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1C[C@H]2C[C@]2(CO)C1	1323195577	VEGHCGMPFBFKQK-DNVCBOLYSA-N	359.426	-0.020	10	20	FBCD	
C[C@@H](C(=O)OCC(=O)c1ccc(O)c(O)c1)n1cnc(-c2nn[nH]n2)n1	1589027957	RRMRRFPVBXOSNF-ZETCQYMHSA-N	359.302	-0.144	10	20	FBCD	
C[C@H](O)C(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21	1791050342	QZKVFHAXFNTQPA-UKJIMTQDSA-N	365.386	-0.533	10	20	FBCD	
CC(=O)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1	1847056070	VPXDUJIDRMSRMZ-UHFFFAOYSA-N	355.441	-0.361	10	20	FBCD	
CC(C)CN1C(=O)/C(=C\NCCCN2CCN(C)CC2)C(=O)NC1=S	29003323	REDMFAJXSQXRCT-KAMYIIQDSA-N	367.519	-0.003	10	20	FBCD	
CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc3c(c2)CCCN3C)CCO1	285726870	NVOKAHNFCANPMI-MRXNPFEDSA-N	374.441	-0.341	10	20	FBCD	
O=C1NCC[C@@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1347988378	HLFOJTPYCRSCFQ-AWEZNQCLSA-N	351.428	-0.326	10	20	FBCD	
CN1C(=O)C(=O)N(CC(=O)NCc2ccc(N3CCOCC3)cc2)C1=O	265029944	ORNXCQOFUNBWBA-UHFFFAOYSA-N	360.370	-0.440	10	20	FBCD	
Cn1c(=O)c2cc(C(=O)NCCc3ccc(O)c(O)c3)n(C)c2n(C)c1=O	762262635	ZYYABMALCFTJKF-UHFFFAOYSA-N	372.381	-0.041	10	20	FBCD	
COC(=O)[C@H]1C[C@@H](O)CN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	1328425866	OYVMYSYJTZTVOL-QWHCGFSZSA-N	350.371	-0.267	10	20	FBCD	
CS(=O)(=O)NCCOC(=O)c1cc(NS(C)(=O)=O)ccc1O	730602212	FNQBDMBOUDWJOL-UHFFFAOYSA-N	352.390	-0.530	10	20	FBCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCC(=O)N1CCNCC1	842227870	YDGJVNRZNNSVQI-UHFFFAOYSA-N	362.430	-0.321	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)N[C@H]3CCN(C)C3=O)C2)cc1	1118175216	VSMQMGZRNBVIJM-CJNGLKHVSA-N	374.441	-0.015	10	20	FBCD	
COCC(=O)NC[C@@H]1OC[C@@H]2CCN(C(=O)c3cc(O)nc(O)c3)C[C@@H]21	1786493548	PDOJDBPDIKBNBV-DRZSPHRISA-N	365.386	-0.268	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN(CCOC)[C@@H](C)C(N)=O)nc12	269473372	UZZXWAJMFHQEOP-JTQLQIEISA-N	365.390	-0.066	10	20	FBCD	
COc1cccc(CNC(=O)c2nc(N)nc(N3CCOCC3)n2)c1O	845834500	TYWDZPHSYMUIGF-UHFFFAOYSA-N	360.374	-0.065	10	20	FBCD	
NC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1	288562897	NFDKSVVQZQNPII-HNNXBMFYSA-N	358.398	-0.608	10	20	FBCD	
COCCN1C(=O)/C(=C\N[C@H](CC(C)C)C(=O)OC)C(=O)NC1=S	299250652	BYNFTMDGQWEQEM-HIJJYWJESA-N	357.432	-0.063	10	20	FBCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)NC1CC1	734422552	CAOHRQHXWYVXSN-UHFFFAOYSA-N	351.428	-0.184	10	20	FBCD	
COCCONC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	830620541	VHQKRDFGEQPZLB-UHFFFAOYSA-N	351.403	-0.042	10	20	FBCD	
COC[C@H](CO)NC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843077176	AWAZUQMRQRJNSK-DOTOQJQBSA-N	353.463	-0.225	10	20	FBCD	
COC[C@H](CNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1)OC	1325610750	IKTNZTSQUHHCEB-INIZCTEOSA-N	365.430	-0.083	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N2CC(=O)N[C@@H](C)C2)cc1	846290657	VURSWSNSYZLVAT-ZDUSSCGKSA-N	362.430	-0.063	10	20	FBCD	
COCCN1C(=O)/C(=C\NNc2ncc(Cl)cn2)C(=O)NC1=S	856720085	ZVJPEUCHYYJVRV-VURMDHGXSA-N	356.795	-0.180	10	20	FBCD	
COCCC(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1	1796137646	OZKRBIPEZVCHNZ-DRXBFXEBSA-N	365.386	-0.268	10	20	FBCD	
O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)Cn2nccn2)C1	1845265049	HJXBDSRAOGPLFS-UHFFFAOYSA-N	358.358	-0.399	10	20	FBCD	
CNC(=O)[C@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	285636197	FQJIKTAPEJRXPA-CQSZACIVSA-N	366.393	-0.519	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NCc2nc(O)cc(CN)n2)cc1	851684403	AWJFISFUSPZOPD-UHFFFAOYSA-N	358.402	-0.361	10	20	FBCD	
COc1ccc(-n2nnnc2CN2C[C@@H]3CCN(C(=O)C(N)=O)[C@@H]3C2)cc1	1076198813	NQMPUBGLUXKAMH-SMDDNHRTSA-N	371.401	-0.811	10	20	FBCD	
NC(=O)CCNC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1118585906	MAPQBGMFRNVBMR-UHFFFAOYSA-N	354.432	-0.404	10	20	FBCD	
NCCN(CCO)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1328350102	LDBNYMBDYBTBHN-UHFFFAOYSA-N	370.475	-0.616	10	20	FBCD	
CNC(=O)N1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	267231163	PMBYSSYSYIDCTH-UHFFFAOYSA-N	356.404	-0.139	10	20	FBCD	
COc1cccc(CNC(=O)CN2CCN(S(C)(=O)=O)CC2)c1O	269214315	XJTUXAQDNJTQKV-UHFFFAOYSA-N	357.432	-0.406	10	20	FBCD	
COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1	1326842887	ARLRRGFFGNMMPA-ZFWWWQNUSA-N	363.414	-0.249	10	20	FBCD	
Cc1cc(C(=O)N[C@@H](CO)C(N)=O)c(C)n1-c1ccc(-c2nn[nH]n2)cc1	1591929662	JFQVWXTXKCGQQT-AWEZNQCLSA-N	369.385	-0.150	10	20	FBCD	
O=C1CC[C@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)N1	1842796765	FLOHQNNOZSTCOT-LLVKDONJSA-N	360.370	-0.412	10	20	FBCD	
COc1cccc(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1O	265221466	GYTQDXPYRGYNGY-KBPBESRZSA-N	356.444	-0.012	10	20	FBCD	
O=C(NCc1cc(F)c(N2CCOCC2)c(F)c1)C(=O)N[C@H]1CCNC1	851685849	SZGXCIGVJDBUHA-LBPRGKRZSA-N	368.384	-0.104	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN(CCN)CCO)CC2)cc1	923332252	RELJMTMECJUBQS-KRWDZBQOSA-N	352.479	-0.569	10	20	FBCD	
COc1ccc(O)c(CNC(=O)CNS(=O)(=O)c2cn(C)cn2)c1	756764130	FVVKVTQSQKYQQW-UHFFFAOYSA-N	354.388	-0.271	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)c1	1599761578	UBQVCFKPOFRYCG-WPRPVWTQSA-N	358.372	-0.329	10	20	FBCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H](C)C(N)=O)CC2)cc1	778222132	ONUDTGJMHUBSEV-SBDDDAINSA-N	360.414	-0.110	10	20	FBCD	
COC(=O)C[C@@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C(=O)OC	271188560	FJGCKGHPVHPDFY-SNVBAGLBSA-N	374.371	-0.402	10	20	FBCD	
CN(Cc1ccc(N2CCOCC2)cc1)C(=O)C(=O)NCC[S@@](C)=O	804998541	IOQHIPBOGPBZHC-RUZDIDTESA-N	367.471	-0.024	10	20	FBCD	
CC(=O)C(=O)COC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1	808527355	DQZMADMJHWYXMI-MRVPVSSYSA-N	356.356	-0.846	10	20	FBCD	
CNC[C@H]1CCCN1C(=O)C(=O)C(=O)C(=O)N1CC[C@H](c2cccnc2)C1	843058222	OWBJLGKKIPLEJV-LSDHHAIUSA-N	372.425	-0.254	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2CCO[C@@H](C(=O)O)C2)cc1F	817106285	GDUDNJSZLUTTGM-CYBMUJFWSA-N	353.350	-0.180	10	20	FBCD	
O=C1CN(Cc2ccccc2O)C(=O)N1CCn1cnc(-c2nn[nH]n2)n1	1593399397	ZXBVBXNQBJSEHI-UHFFFAOYSA-N	369.345	-0.372	10	20	FBCD	
COc1ccc(CNC(=O)Cn2cnc3c2c(=O)n(C)c(=O)n3C)c(O)c1	794380815	FKLDOYXNHZHZJA-UHFFFAOYSA-N	373.369	-0.536	10	20	FBCD	
Cn1nnc(CNC(=O)C(=O)N(Cc2ccccc2O)C[C@@H]2CCCO2)n1	1326790575	YLBSZCPUAXKVEQ-ZDUSSCGKSA-N	374.401	-0.260	10	20	FBCD	
C[C@H](O)C(=O)N1CC[C@H]2CO[C@@H](CNC(=O)c3cc(O)nc(O)c3)[C@H]2C1	1787295254	YWIYXBFSHZCSDT-UKJIMTQDSA-N	365.386	-0.533	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCN(C(=O)CO)CC3)nc12	759840806	DNOMLPOULJNTNE-UHFFFAOYSA-N	363.374	-0.752	10	20	FBCD	
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@H](C)N)CC2)cc1	851643397	WPMZTYXXFVJBSK-ZDUSSCGKSA-N	370.475	-0.390	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CCCNC3)cc2)CC1	884674030	LJMCIXGULSALLW-INIZCTEOSA-N	359.474	-0.077	10	20	FBCD	
CC(=O)N1CCN(c2ccc(CNC(=O)CN3C(=O)CNC3=O)cc2)CC1	1324944743	JZNGSNPKXGZDLT-UHFFFAOYSA-N	373.413	-0.477	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNS(=O)(=O)c1cn(C)c(=O)n(C)c1=O	115592840	YBWIDANQWQCUIA-UHFFFAOYSA-N	366.443	-0.063	10	20	FBCD	
Nc1ccc(CC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1	269212370	QXIZVVVXZZDMSD-UHFFFAOYSA-N	360.414	-0.659	10	20	FBCD	
O=C(CN1C(=O)[C@H]2[C@H](C1=O)[C@H]1CC[C@H]2O1)NCCc1ccc(O)c(O)c1	270538511	IYULEDZSEHPVKE-RRCSTGOVSA-N	360.366	-0.081	10	20	FBCD	
O=C(/C=C/c1ccc(O)c(O)c1)N1CCN(C(=O)Cn2cnnn2)CC1	272467433	PGUZFDVCWHRADW-DUXPYHPUSA-N	358.358	-0.532	10	20	FBCD	
COCCNCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	827391183	YDSLJAYKLKYDSU-UHFFFAOYSA-N	355.460	-0.226	10	20	FBCD	
CS(=O)(=O)NC1CN(C(=O)NCc2ccc(N3CCOCC3)cc2)C1	875140984	JWBVLOPENZQHPP-UHFFFAOYSA-N	368.459	-0.034	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1	1345453415	TYVHZSKVKLSOJY-CYBMUJFWSA-N	369.443	-0.109	10	20	FBCD	
COC(=O)[C@H]1[C@H](O)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	275536599	KRNQVFQMIILAMD-CHWSQXEVSA-N	372.399	-0.098	10	20	FBCD	
CNS(=O)(=O)Nc1ccc(NS(=O)(=O)N(C)CCOC)cc1	844661558	IPKJZMITUVAGPC-UHFFFAOYSA-N	352.438	-0.202	10	20	FBCD	
CN(C)c1ccc([C@@H](N)CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1	852791582	JTIJVOBZBLBODD-HIFRSBDPSA-N	369.491	-0.216	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NCCNS(C)(=O)=O)cc1F	1341085776	FJOFNHIIRBSODX-UHFFFAOYSA-N	360.411	-0.827	10	20	FBCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CN3C(=O)CNC3=O)cc2)C1	1317998332	MSZQIJNUURMFSW-CYBMUJFWSA-N	373.413	-0.444	10	20	FBCD	
COC(=O)NCC(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843250945	GIDGMXALHYZHDD-UHFFFAOYSA-N	364.358	-0.334	10	20	FBCD	
C[C@@H](NS(C)(=O)=O)C(=O)NCc1ccc(N2CCN(C)CC2)cc1	881849599	GIYSNIONYZFDKV-CYBMUJFWSA-N	354.476	-0.008	10	20	FBCD	
CN(C)c1ccc([C@@H](CNC(=O)C(=O)NCc2ncn(C)n2)N(C)C)cc1	1354584796	PPLOPPNJDKKLLE-OAHLLOKOSA-N	373.461	-0.084	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CC[C@@H](S(N)(=O)=O)C3)nc12	769655911	KDUWAJGPNIVPOV-SNVBAGLBSA-N	369.403	-0.526	10	20	FBCD	
O=C(/C=C/c1ccc(O)c(O)c1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1	1320031224	OFKNAINDJQTJKM-FXMSTWTQSA-N	368.411	-0.079	10	20	FBCD	
CN(CCO)C(=O)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	789841090	RICMZUSNKUVAGF-UHFFFAOYSA-N	353.394	-0.146	10	20	FBCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N[C@H]1CCS(=O)(=O)C1	1336331674	ZRWUBYKPKOVRPY-AWEZNQCLSA-N	363.439	-0.018	10	20	FBCD	
COc1ccc(N2CCN(C(=O)/C=C\C(=O)NOCC(N)=O)CC2)cc1	778418885	GICJHTUZRPVYIM-SREVYHEPSA-N	362.386	-0.567	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C3=C[C@@H](O)[C@@H](O)[C@H](O)C3)cc2)CC1	918852654	UGDFNDISFFOCHU-KZNAEPCWSA-N	361.442	-0.533	10	20	FBCD	
O=C1NC[C@H]2CN(Cc3ccc(N4CCC(O)CC4)cc3)CCN2C1=O	876800288	PLTWFIKVCPYVGU-INIZCTEOSA-N	358.442	-0.210	10	20	FBCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)N1CCOCCN1	895708262	PPOAWELSVRPTRZ-UHFFFAOYSA-N	368.459	-0.032	10	20	FBCD	
NC(=O)c1ncn(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)n1	844341373	KCBINCYGMLIIIJ-UHFFFAOYSA-N	362.365	-0.331	10	20	FBCD	
O=C(c1cc(O)nc(O)c1)N1CCC2(CCCN(C(=O)C(O)O)C2)CC1	1805278238	YQFLGXIAJBTEOV-UHFFFAOYSA-N	365.386	-0.352	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(COC(=O)CCNC(=O)NC)nc12	795636946	HLEZMGKAWNEGIO-UHFFFAOYSA-N	365.346	-0.026	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNCCn3cnnn3)CC2)cc1	1120497741	YUSKZWNKOYMATG-INIZCTEOSA-N	361.450	-0.546	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N[C@H]3CC(=O)N(C)C3)cc2)CC1	1350395674	JEHAOVBUDHEZMN-HNNXBMFYSA-N	373.457	-0.599	10	20	FBCD	
C[C@@H](Cc1ccc(O)c(O)c1)NC(=O)CNS(=O)(=O)c1cn(C)cn1	274980811	XINYXABTGMAGDJ-JTQLQIEISA-N	368.415	-0.143	10	20	FBCD	
O=C(CN1C(=O)[C@H]2[C@H]3CC[C@@H](O3)[C@@H]2C1=O)NCCc1ccc(O)c(O)c1	270538513	IYULEDZSEHPVKE-VDERGJSUSA-N	360.366	-0.081	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N(C)CCC(N)=O)cc1	846289862	LDTRICIFXIZURE-UHFFFAOYSA-N	350.419	-0.076	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)N3CCN4C(=O)NC[C@H]4C3)ccc21	1257535528	JOQSHJGGCVPKSN-HNNXBMFYSA-N	371.441	-0.079	10	20	FBCD	
O=C1CC[C@@H](C(=O)N2CCCC23CN(C(=O)c2cc(O)nc(O)c2)C3)CN1	1841112101	HHVGANXBTIVLOW-LLVKDONJSA-N	374.397	-0.164	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN3C[C@H](O)[C@H](O)C3)CC2)cc1	754049110	HMZZSXJNYLVNAN-NXHRZFHOSA-N	351.447	-0.785	10	20	FBCD	
O=C(c1cc(O)nc(O)c1)N1CCCC2(CCN(C(=O)C(O)O)CC2)C1	1810548772	FNYWRQQVKMHNMQ-UHFFFAOYSA-N	365.386	-0.352	10	20	FBCD	
CC(=O)N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)CN1C(=O)CSC1=S)C2	1795337119	CZXXIWDLXFPCPI-DDFAGTSDSA-N	357.457	-0.544	10	20	FBCD	
NC[C@@H]1OCC[C@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1333636159	PXTNAYVREHIPTD-CVEARBPZSA-N	367.471	-0.099	10	20	FBCD	
Cn1cnc(S(=O)(=O)NCC(=O)OCC(=O)c2ccc(O)c(O)c2)c1	784085680	UIQYYDATBNGFPS-UHFFFAOYSA-N	369.355	-0.464	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCC(=O)N1CCNCC1	842151301	AITFFMQTCUPHDR-UHFFFAOYSA-N	361.446	-0.775	10	20	FBCD	
C[C@H](NC(=O)C(=O)NCCNS(C)(=O)=O)c1ccc(N(C)C)cc1	1323232890	NXTJWLLDXAPWGW-NSHDSACASA-N	356.448	-0.405	10	20	FBCD	
COc1ccc(N2CC[C@H](CNC(=O)C(=O)NC[C@@H]3CNC(=O)C3)C2)cc1	1326253165	QHBRCPNNKCFTAS-KGLIPLIRSA-N	374.441	-0.110	10	20	FBCD	
CO[C@H](C(=O)O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1574104911	LDHYWUGLNNZCOJ-ZDUSSCGKSA-N	356.400	-0.363	10	20	FBCD	
CN(C)c1ccc(CN(C(=O)C(=O)N2CCO[C@H](C(N)=O)C2)C2CC2)cc1	297751800	HSAQYYPKOMKXSV-INIZCTEOSA-N	374.441	-0.044	10	20	FBCD	
CN1CCN(C(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC1=O	839225979	ROJWXZWDRZZSGM-UHFFFAOYSA-N	374.441	-0.218	10	20	FBCD	
COc1ccc(N2CCN(C(=O)COC(=O)CS(C)(=O)=O)CC2)cc1	920596803	YQJPOTISWWJSJK-UHFFFAOYSA-N	370.427	-0.068	10	20	FBCD	
Cn1cc(N2CCN(C(=O)C(=O)NCCc3ccc(N)cc3)CC2=O)cn1	842235565	IASKVMPPWIEGFY-UHFFFAOYSA-N	370.413	-0.464	10	20	FBCD	
CN(C)CC[C@H](N)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1327930011	YAJJUVFMCIBVNN-INIZCTEOSA-N	368.503	-0.183	10	20	FBCD	
O=C(c1cccc(O)c1O)N1CCN([C@@H]2CS(=O)(=O)C[C@@H]2O)CC1	790619774	ZGJZDPNHTYYRIQ-YPMHNXCESA-N	356.400	-0.987	10	20	FBCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)NCC1CNC1	1261632269	VPOHICCJGVQWFC-UHFFFAOYSA-N	352.460	-0.060	10	20	FBCD	
O=C(CN1C(=O)CNC1=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	1339958086	TWEXXJQVMXUERQ-UHFFFAOYSA-N	364.377	-0.045	10	20	FBCD	
CCC(=O)N1CCOC[C@@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2	1836418056	XDICTGQYHCLIJP-QGZVFWFLSA-N	365.386	-0.027	10	20	FBCD	
O=C(C(O)O)N1CC2(CCCN2C(=O)C2=NN(c3ccccc3)C(=O)C2)C1	1843440955	KIJNMGCNNKEWQJ-UHFFFAOYSA-N	372.381	-0.707	10	20	FBCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)N[C@H]3CNC(=O)C3)CC2)cc1	755922292	ATMGTFJDILDOKM-PSKZRQQASA-N	372.425	-0.095	10	20	FBCD	
CN(C)c1ccc([C@@H](CNC(=O)C2=C[C@@H](O)[C@@H](O)[C@H](O)C2)N(C)C)cc1	891246683	DYNRTCFWBHLUEQ-BRSBDYLESA-N	363.458	-0.116	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)NC1CCN(S(C)(=O)=O)CC1	1321633317	BLLGDHSHHCYRBW-UHFFFAOYSA-N	369.443	-0.109	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cc(O)nc(O)c1)C2)[C@@H]1C=CCN1	1796310889	SQFFUZNDUMSGOQ-ZWUHOBOKSA-N	374.397	-0.776	10	20	FBCD	
CC(=O)NCC(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1	1796602414	GJFJUBRWXIEIKW-CLLJXQQHSA-N	362.386	-0.119	10	20	FBCD	
COc1ccc(N2CCN(C(=O)/C=C/C(=O)N(C)CC(N)=O)CC2)cc1	778232834	IHINJJVYWDZRON-BQYQJAHWSA-N	360.414	-0.156	10	20	FBCD	
CN(C)C(=O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1084108859	IVMMKEYQDPEIGR-OLZOCXBDSA-N	362.390	-0.288	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCN4C(=O)NC(=O)[C@H]4C3)nc12	749026393	TZKYWHINQGEGLG-LLVKDONJSA-N	374.357	-0.652	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNCCS(C)(=O)=O)CC2)cc1	818963548	VCRODZKGAHAUSU-INIZCTEOSA-N	371.503	-0.188	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)NC[C@H]2COCCN2)cc1	861803101	RWCXBALUHLAUIB-AWEZNQCLSA-N	364.446	-0.306	10	20	FBCD	
COc1ccc(N2CCN(CC(=O)N3CCNC(=O)C3)CC2)c(OC)c1	879463689	MGIMLWDJJBLNLF-UHFFFAOYSA-N	362.430	-0.216	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)NCCN3C(=O)CCC3=O)ccc21	1322735289	LFEATXCXDQCBTM-UHFFFAOYSA-N	372.425	-0.050	10	20	FBCD	
CNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(N(C)C)cc2)cn1	746353167	CNRUAKJUKCFFFU-UHFFFAOYSA-N	358.402	-0.050	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)Cn3ccc(=O)n(C)c3=O)cc2)CC1	881849768	IPKIEBCCJOQZEJ-UHFFFAOYSA-N	371.441	-0.385	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NCCN1C(=O)CNC1=O	1117377637	GHSWGTFCNOEQNH-UHFFFAOYSA-N	361.402	-0.655	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN3CC(=O)N[C@@H](C)C3)CC2)cc1	831762250	CCWHHGNGJYALIZ-RDJZCZTQSA-N	362.474	-0.002	10	20	FBCD	
CN(C)c1ccc([C@H](N)CNC(=O)[C@@H]2CCCN(S(N)(=O)=O)C2)cc1	852791583	JTIJVOBZBLBODD-UKRRQHHQSA-N	369.491	-0.216	10	20	FBCD	
O=C(NCCN1C(=O)CNC1=O)C(=O)NCc1ccc(N2CCCC2)cc1	1323462679	PRBCMRUVTMWSLS-UHFFFAOYSA-N	373.413	-0.429	10	20	FBCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN(C)C(=O)COC	1342917501	WWUDWBKZUSMALM-LBPRGKRZSA-N	368.386	-0.207	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2CC(NS(C)(=O)=O)C2)c1	862841014	CPMHYYZHIKCVGU-UHFFFAOYSA-N	363.417	-0.863	10	20	FBCD	
CNS(=O)(=O)CCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O	863432546	YHSTYOVANMBRRB-UHFFFAOYSA-N	365.433	-0.567	10	20	FBCD	
C[C@@H]1CN(CCC(=O)O)CCN1C(=O)C(=O)NCCc1ccc(N)cc1	1604787982	IBSRKSQHGWBCIC-CYBMUJFWSA-N	362.430	-0.065	10	20	FBCD	
COc1ccc(N(CC(=O)O)CC(=O)N[C@@H]2CCC(=O)N(C)C2=O)cc1	853010505	DLDOVRVOSAWYMJ-CYBMUJFWSA-N	363.370	-0.150	10	20	FBCD	
CN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)c1ccc2c(c1)OCO2	270369529	TZPSPEDNUIIDHT-SNVBAGLBSA-N	369.399	-0.136	10	20	FBCD	
CN(C)C(=O)CNC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	275628399	NEKZVPHLZLQARB-UHFFFAOYSA-N	366.393	-0.517	10	20	FBCD	
Cn1cc(S(=O)(=O)Nc2ccc(O)cc2C(=O)O)c(=O)n(C)c1=O	392140193	REKWDFFCMBQUKI-UHFFFAOYSA-N	355.328	-0.711	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)N(C)CCC(N)=O)CC2)cc1F	1344946633	MSTLRXPSVNSEBU-UHFFFAOYSA-N	366.393	-0.183	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNCC(C)(CO)CO)CC2)cc1	843079055	UCDCCUIDJNOGRA-KRWDZBQOSA-N	367.490	-0.241	10	20	FBCD	
Cn1cc([C@H](CO)NC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1	272313130	IKBHIWNIPCJMQQ-LBPRGKRZSA-N	354.388	-0.039	10	20	FBCD	
COc1ccc(O)c([C@@H](C)NC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)c1	781974108	ZTKRAKJUJNHIPZ-DTWKUNHWSA-N	359.404	-0.629	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN3C[C@H](O)C[C@H]3CO)CC2)cc1	764979944	IRKPVVOZOATGIM-KSZLIROESA-N	365.474	-0.394	10	20	FBCD	
COc1ccc(-n2nnnc2CN2C[C@@H](O)[C@H](NC(=O)C(C)C)C2)cc1	1076756767	KXCLINBGLCSELI-HUUCEWRRSA-N	360.418	-0.012	10	20	FBCD	
O=C(O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1C(=O)Cc1ccc(O)c(O)c1	1602199727	PTOVKMXZMYVFPO-UWVGGRQHSA-N	363.326	-0.754	10	20	FBCD	
O=C(COCCO)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843250536	JUUYAJWXJIJFLQ-UHFFFAOYSA-N	351.359	-0.681	10	20	FBCD	
CN1CC[C@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1=O	1321546571	FFTGAMNVGDNJEV-HNNXBMFYSA-N	360.414	-0.514	10	20	FBCD	
CN(C)C(=O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)c1cc(O)nc(O)c1)C2	1795900688	SPHFLWFGIKXMHB-ZSBIGDGJSA-N	362.386	-0.167	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NC2CC(NS(C)(=O)=O)C2)cc1	1321420248	NXNAFPKOYNCJNM-UHFFFAOYSA-N	368.459	-0.435	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)N2C[C@@H](O)C[C@@H](C(=O)O)C2)c1	1599761576	UBQVCFKPOFRYCG-SCZZXKLOSA-N	358.372	-0.329	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3CCN(C)C[C@@H]3CO)CC2)cc1	879003103	CBEIOEYZAUOXCS-QGZVFWFLSA-N	362.474	-0.048	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNC[C@H](O)C(=O)O)CC2)cc1	1599585500	TWUIJNRHEIMKDS-ZBFHGGJFSA-N	353.419	-0.787	10	20	FBCD	
C[C@@H](CS(C)(=O)=O)NC(=O)c1cc(NS(C)(=O)=O)ccc1O	264943788	ASJPJXWZEDPJDF-QMMMGPOBSA-N	350.418	-0.073	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCO[C@@H](C(=O)OC)C3)nc12	728574036	NQPGUKGVXNUTGZ-GFCCVEGCSA-N	364.358	-0.015	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)NC[C@H]2CNC(=O)C2)cc1	846740700	MQEUJMJTYOFEOL-CYBMUJFWSA-N	362.430	-0.158	10	20	FBCD	
CN1CCNC[C@@H]1C(=O)NCc1ccc(N2CCC(C(N)=O)CC2)cc1	1354646701	YVKBUKOXILVPCJ-QGZVFWFLSA-N	359.474	-0.092	10	20	FBCD	
C[C@H](CNC(=O)c1cc(NS(C)(=O)=O)ccc1O)S(C)(=O)=O	754508071	QELLSNMBRNHRSZ-MRVPVSSYSA-N	350.418	-0.073	10	20	FBCD	
CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)c1cc(O)cs1)C2	788006435	WUTZLPJGWCLTNO-UHFFFAOYSA-N	351.388	-0.444	10	20	FBCD	
Cc1cc(NC=C2C(=O)NC(=S)NC2=O)n([C@@H]2CCS(=O)(=O)C2)n1	920979852	KLRZRAWWSJSZKD-MRVPVSSYSA-N	369.428	-0.622	10	20	FBCD	
O=C(O)/C=C/c1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1	833194996	BWAASQZSMPJGKK-JRBALWBOSA-N	360.326	-0.160	10	20	FBCD	
O=C(C(=O)C(=O)N1C[C@@H]2C[C@H]1CN2)C(=O)N1CC[C@H](c2cccnc2)C1	868401617	SOEVGLJXHYCXPS-IHRRRGAJSA-N	356.382	-0.892	10	20	FBCD	
CNC(=O)CN(C)CC(=O)NCc1ccc(N2CCOCC2)c(F)c1	51739691	QXLUHXUUXACMLJ-UHFFFAOYSA-N	352.410	-0.044	10	20	FBCD	
CO[C@@H]1CS(=O)(=O)C[C@H]1NC(=O)C(=O)NCc1ccc(N(C)C)cc1	826707883	ZBGQNVUECBKEMX-ZIAGYGMSSA-N	369.443	-0.703	10	20	FBCD	
CNC(=O)[C@@H](C)N1C[C@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1084108958	NRHJEXFKRKZVDE-WQAKAFBOSA-N	362.390	-0.242	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN(CCOC)[C@H](C)C(N)=O)nc12	269473375	UZZXWAJMFHQEOP-SNVBAGLBSA-N	365.390	-0.066	10	20	FBCD	
CCNS(=O)(=O)CCNC(=O)C(=O)N[C@H](C)c1ccc(N(C)C)cc1	1323191409	DQQULCPGFDTUIR-GFCCVEGCSA-N	370.475	-0.015	10	20	FBCD	
C[C@H](NC(=O)C(=O)NCCN1C(=O)CNC1=O)c1ccc(N(C)C)cc1	1324649648	NGLXCKZLBKGWLF-NSHDSACASA-N	361.402	-0.402	10	20	FBCD	
C[C@@H](O)C(=O)N1C[C@@H]2COC[C@H](C1)[C@@H]2NC(=O)c1cc(O)nc(O)c1	1796141262	VFOUZIFAOBMFEJ-GCDPNZCJSA-N	351.359	-0.923	10	20	FBCD	
CNS(=O)(=O)N1CCC(C(=O)OCC(=O)c2ccc(O)c(O)c2)CC1	803934875	JCFAQXITUQKKJQ-UHFFFAOYSA-N	372.399	0.000	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)cc1	1325390461	CBYFWCNWQIUCME-UHFFFAOYSA-N	368.459	-0.624	10	20	FBCD	
O=C1NCC[C@H]1C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1347988379	HLFOJTPYCRSCFQ-CQSZACIVSA-N	351.428	-0.326	10	20	FBCD	
COc1cc(C(=O)N[C@H]2CCN(C(=O)[C@H]3C[C@H]3C(N)=O)C2)cc(OC)n1	938309017	ABPILZLNYFSENQ-TUAOUCFPSA-N	362.386	-0.449	10	20	FBCD	
COc1ccc(N2CCN(CCCNC(=O)[C@@H](N)CC(N)=O)CC2)cc1	269708184	NILNDABUBWKYLV-INIZCTEOSA-N	363.462	-0.474	10	20	FBCD	
CCNS(=O)(=O)[C@H]1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)C1	1329696323	OGERSFKMEDABNQ-JTQLQIEISA-N	369.403	-0.353	10	20	FBCD	
O=C1CC[C@H](C(=O)N2CC3(CCCN3C(=O)c3cc(O)nc(O)c3)C2)N1	1843249753	UUESLUZSPKGVLJ-LLVKDONJSA-N	360.370	-0.412	10	20	FBCD	
CC(=O)NCC(=O)NCC(=O)NCc1ccc(N2CCN(C)CC2)cc1	881850075	MQVOQVCCROZDAL-UHFFFAOYSA-N	361.446	-0.693	10	20	FBCD	
COc1ccc(-n2nnnc2CN[C@@H]2CN(C(=O)C(N)=O)C[C@H]2C)cc1	1082716209	RRIJDHYKIROHKG-ZWNOBZJWSA-N	359.390	-0.907	10	20	FBCD	
O=C(Cn1nccn1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843250646	WRSJXBDQWLGKRE-UHFFFAOYSA-N	358.358	-0.399	10	20	FBCD	
O=C(c1cccc(O)c1O)N1CCN([C@H]2CS(=O)(=O)C[C@@H]2O)CC1	790619761	ZGJZDPNHTYYRIQ-AAEUAGOBSA-N	356.400	-0.987	10	20	FBCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)CNS(=O)(=O)N(C)C	854987997	NVPBWGCOBMAFAC-UHFFFAOYSA-N	373.431	-0.320	10	20	FBCD	
CN1C[C@@H](NC(=O)C(=O)NCc2ccc(N3CCC(O)CC3)cc2)CC1=O	1330894675	WUVIYQSAGSAMMO-AWEZNQCLSA-N	374.441	-0.389	10	20	FBCD	
C[C@H](CC(N)=O)C(=O)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cc(O)nc(O)c1	1847858828	LQKPSDOURGJLCD-USWWRNFRSA-N	362.386	-0.180	10	20	FBCD	
CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCc2ccc(N(C)C)cc2)C1	1321593043	JQRPIOFMRXGBBH-AWEZNQCLSA-N	368.459	-0.481	10	20	FBCD	
N[C@@H]1CCCN(C(=O)C(=O)C(=O)C(=O)N2CC[C@H](c3cccnc3)C2)C1	1326503462	UGSWBYDJFKIZHN-UONOGXRCSA-N	358.398	-0.515	10	20	FBCD	
NS(=O)(=O)c1cc(NS(=O)(=O)c2cc(C(=O)O)ccn2)ccc1O	1777567925	LZERYEYFOYLGES-UHFFFAOYSA-N	373.368	-0.066	10	20	FBCD	
COc1cccc(CNS(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c1O	269863308	ZMZKBZNXAQRMLO-UHFFFAOYSA-N	355.372	-0.723	10	20	FBCD	
CO[C@@H]1CN(C(=O)c2ccc(N=NC(N)=O)cc2)C[C@H]1NC(=O)C(N)=O	946509228	RJRQGRWCQVBYGX-GHMZBOCLSA-N	362.346	-0.710	10	20	FBCD	
CNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(OC)cc2O)cn1	1325051179	LVRARARNVUKCOH-UHFFFAOYSA-N	361.358	-0.402	10	20	FBCD	
CNC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)CCO1	288520521	KGPHSOLZDCTCCA-INIZCTEOSA-N	372.425	-0.348	10	20	FBCD	
COC(=O)[C@H]1C[C@H](O)CN(C(=O)C(=O)N(C)Cc2ccccc2O)C1	1328425868	OYVMYSYJTZTVOL-STQMWFEESA-N	350.371	-0.267	10	20	FBCD	
O=C(COC(=O)/C=C/c1ccc(O)c(O)c1)N[C@H]1CCS(=O)(=O)C1	1321060689	FYIIEFYVKZMDPS-FWEMWIAWSA-N	355.368	-0.043	10	20	FBCD	
CCS(=O)(=O)NCCS(=O)(=O)NCc1cc(OC)ccc1O	751415841	ZOPSGVHTPDDLBF-UHFFFAOYSA-N	352.434	-0.241	10	20	FBCD	
COC(OC)C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2	1841486722	VGOYDUKCXWBJND-UHFFFAOYSA-N	351.359	-0.071	10	20	FBCD	
C[C@H](NC(=O)C(=O)NCC(=O)N(C)C)c1ccc(N2CCOCC2)cc1	782474219	JMLAFHWNBDTMSN-ZDUSSCGKSA-N	362.430	-0.095	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3CCN3C)cc2)CC1	931226762	WQSLCOFTXJIJHG-QGZVFWFLSA-N	359.474	-0.125	10	20	FBCD	
CNC(=O)NCCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	814329945	FRDAENCNKAUJDV-UHFFFAOYSA-N	368.459	-0.143	10	20	FBCD	
CO[C@@H](CN)CC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	827389719	NETUZTIJWIAWDI-OAHLLOKOSA-N	355.460	-0.099	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NCCN2C(=O)CNC2=O)cc1F	1323461935	FOQXKYBLVPLYQH-UHFFFAOYSA-N	365.365	-0.824	10	20	FBCD	
CN1C(=O)C(=CNNc2ccccc2S(C)(=O)=O)C(=O)N(C)C1=O	764412980	IGKPTHXPHNHNNG-UHFFFAOYSA-N	352.372	-0.059	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3CC(=O)N(C)C3)CC2)cc1	818994679	IYMSMPIBTDHACM-NVXWUHKLSA-N	362.474	-0.002	10	20	FBCD	
COCCN1C(=O)/C(=C\NNc2nncc(N)c2Cl)C(=O)NC1=S	1116286277	OPZVCMPKGFDANA-XQRVVYSFSA-N	371.810	-0.598	10	20	FBCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)[C@@]1(O)CCOC1	855396592	OVMDVMGPFOSVIW-MRXNPFEDSA-N	354.428	-0.311	10	20	FBCD	
CN1C[C@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O	1117032656	SRCQDNYFZYIHEU-CQSZACIVSA-N	360.414	-0.514	10	20	FBCD	
NCC(F)(F)CNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	842192942	UVHYQOQPAXSRLO-UHFFFAOYSA-N	356.373	-0.150	10	20	FBCD	
CC[C@H](C(N)=O)N1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1078253663	LTVZVROAEVXQTA-JHJVBQTASA-N	362.390	-0.112	10	20	FBCD	
CC(=O)N1CCOC[C@]2(C1)CN(C(=O)c1cc(O)nc(O)c1)CCO2	1836417969	SHNISKNRXCDRAD-INIZCTEOSA-N	351.359	-0.417	10	20	FBCD	
N[C@H]1CCN(C(=O)C(=O)NCc2cc(F)c(N3CCOCC3)c(F)c2)C1	842045647	YKAQYJMBJJSPSK-LBPRGKRZSA-N	368.384	-0.023	10	20	FBCD	
NC(=O)CSCC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	1261772911	NLOXREDOTJMLKC-UHFFFAOYSA-N	371.484	-0.244	10	20	FBCD	
CN1C(=O)CC[C@H](NC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)C1=O	1345700700	UOWOMCZPINCKCX-HNNXBMFYSA-N	370.409	-0.057	10	20	FBCD	
O=C(Cn1cc(-c2nn[nH]n2)c(O)nc1=O)N1Cc2cccc(O)c2C1	1606615583	YZENYOIDLYKRGC-UHFFFAOYSA-N	355.314	-0.623	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)NCCCN2C(=O)CNC2=O)cc1	1322620851	COSRBFBJGSRVPW-UHFFFAOYSA-N	361.402	-0.573	10	20	FBCD	
NCC(=O)N1CC[C@H]2OCCC[C@@]2(CNC(=O)c2cc(O)nc(O)c2)C1	1777848420	ULJSLYDWOOKFKE-SJKOYZFVSA-N	364.402	-0.421	10	20	FBCD	
C[C@@H](O)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2	1846174895	VTHBNQKMUHJCKO-SECBINFHSA-N	357.457	-0.569	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1ccon1)C2)c1cc(O)nc(O)c1	1796137729	SQRKEISPVOLXQM-QHBPRCKVSA-N	374.353	-0.002	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CNC(=O)CNC(C)=O)CC2)cc1F	268014149	VKLJHNHZPDKRGY-UHFFFAOYSA-N	366.393	-0.265	10	20	FBCD	
O=C(CN1C[C@H](O)[C@@H](O)C1)NCc1ccc(N2CCOCC2)c(F)c1	278601192	DWLCAIQRRZHHNL-HOTGVXAUSA-N	353.394	-0.684	10	20	FBCD	
CN(C)c1ccc([C@@H](N)CNC(=O)C2CCN(S(N)(=O)=O)CC2)cc1	843298502	NTUIIFNUQRUPEA-HNNXBMFYSA-N	369.491	-0.216	10	20	FBCD	
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)[C@@H](C)N)CC2)cc1	851643395	WPMZTYXXFVJBSK-CYBMUJFWSA-N	370.475	-0.390	10	20	FBCD	
Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1	841031566	WPKZJCWOKMKBQZ-UHFFFAOYSA-N	359.430	-0.026	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NC[C@H]3C[C@H](N)C3)cc2)CC1	1262073409	QWHAYZXUCDJPOP-WKILWMFISA-N	359.474	-0.092	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)NCCCN(C)S(C)(=O)=O	1330749384	ZMVHKPWJANXUKO-UHFFFAOYSA-N	357.432	-0.252	10	20	FBCD	
NCC(F)(F)CNC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	842217748	ZIMADAFTYFFVCZ-UHFFFAOYSA-N	374.363	-0.011	10	20	FBCD	
CN(C)c1ccc(CNC(=O)C(=O)N2C[C@@H](O)C[C@H](C(=O)O)C2)cc1F	1606054124	NSJBOGMRGDIYQI-RYUDHWBXSA-N	367.377	-0.198	10	20	FBCD	
O=C1CC[C@@H](C(=O)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cc(O)nc(O)c2)CN1	1847322462	XXKXNYNBDBYHMF-WXHSDQCUSA-N	374.397	-0.166	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN(C)CCC(N)=O)CC2)cc1	796591460	UOCHEYSBBDWRAJ-MRXNPFEDSA-N	350.463	-0.015	10	20	FBCD	
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCc2cn(C)nn2)N(C)C)cc1	1354684819	BTUXYYQZGUDETK-INIZCTEOSA-N	373.461	-0.084	10	20	FBCD	
COc1cccc(CNC(=O)NCCn2cnc(-c3nn[nH]n3)n2)c1O	1609361491	CYECNXQJLSJPJD-UHFFFAOYSA-N	359.350	-0.328	10	20	FBCD	
C[C@H](O)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1	1847055955	UYFFFAUIGHWULG-VIFPVBQESA-N	357.457	-0.569	10	20	FBCD	
CN(C)c1ccc([C@@H](N)CNC(=O)CN(C)[C@H]2CCS(=O)(=O)C2)cc1	832299539	CMGDGEKGXMIQQN-HOTGVXAUSA-N	368.503	-0.013	10	20	FBCD	
COc1ccc(N2CCN(CCNC(=O)C(=O)N[C@@H](C)CN)CC2)cc1	842152559	JOLVTGLJHYMBHC-AWEZNQCLSA-N	363.462	-0.603	10	20	FBCD	
O=C(N[C@@H]1[C@H]2COC[C@@H]1CN(C(=O)c1cnco1)C2)c1cc(O)nc(O)c1	1796136116	RDNGQAWNMRFRAL-QHBPRCKVSA-N	374.353	-0.002	10	20	FBCD	
CCN1CCN(CC(=O)NC[C@H](N)c2ccc(N(C)C)cc2)C(=O)C1=O	832279532	JJOZRMWRCOXDFV-HNNXBMFYSA-N	361.446	-0.441	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNCC(C)(CO)CO)CC2)cc1	843079057	UCDCCUIDJNOGRA-QGZVFWFLSA-N	367.490	-0.241	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN(C)CCS(N)(=O)=O)CC2)cc1	880080851	GLJFNXJSDGQVRM-UHFFFAOYSA-N	370.475	-0.436	10	20	FBCD	
CNS(=O)(=O)Nc1ccc(NS(=O)(=O)CCOCCOC)cc1	281889586	DLYPQNDOUFBWDX-UHFFFAOYSA-N	367.449	-0.033	10	20	FBCD	
COc1ccc(N2CCN(CCNC(=O)CS(C)(=O)=O)CC2)cc1	742916523	KZKIXHBLYKJPOV-UHFFFAOYSA-N	355.460	-0.022	10	20	FBCD	
CN(C)S(=O)(=O)CCNC(=O)c1cc(NS(C)(=O)=O)ccc1O	291491683	GXDIWWDCDGQROO-UHFFFAOYSA-N	365.433	-0.615	10	20	FBCD	
COc1ccc(-n2nnnc2CN2C[C@@H](NC(=O)C(N)=O)[C@H](C)C2)cc1	1080369389	WDJVJEBVCSBWIT-ZWNOBZJWSA-N	359.390	-0.907	10	20	FBCD	
COC(=O)[C@H](CO)NC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843066037	RIROHLZCGJGDEH-WBVHZDCISA-N	367.446	-0.698	10	20	FBCD	
COc1cccc(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1O	265221469	GYTQDXPYRGYNGY-UONOGXRCSA-N	356.444	-0.012	10	20	FBCD	
CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCSc2nccs2)CCO1	806280406	CRBIKEFTKJDKCH-JTQLQIEISA-N	372.472	-0.285	10	20	FBCD	
O=C(c1cc(O)c(O)c(Cl)c1)N1CC[C@H]2[C@@H]1CCN2C(=O)C(O)O	1847446960	HLFHLRSCOUSXTK-UWVGGRQHSA-N	356.762	-0.123	10	20	FBCD	
O=C(NCc1ccc(N2CCS(=O)(=O)CC2)cc1)C(=O)N1CCC1	1346882160	QRQOPDHNRAQCCM-UHFFFAOYSA-N	351.428	-0.230	10	20	FBCD	
COc1c([N+](=O)[O-])ccc(CN2CCN3C(=O)C(=O)NC[C@@H]3C2)c1O	278887976	PCWVBLHKTFOGBL-SNVBAGLBSA-N	350.331	-0.548	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN(C)CCC(N)=O)CC2)cc1	796591458	UOCHEYSBBDWRAJ-INIZCTEOSA-N	350.463	-0.015	10	20	FBCD	
CN(C)c1ccc([C@H](N)CNC(=O)C2CCN(S(N)(=O)=O)CC2)cc1	843298503	NTUIIFNUQRUPEA-OAHLLOKOSA-N	369.491	-0.216	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N3CC[C@H](CO)C3)cc2)CC1	898321181	YSJKDAQZSUCUPJ-INIZCTEOSA-N	360.458	-0.105	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(COC(=O)C(C)(CO)CO)nc12	754862536	FWYZXRCQPGVACX-UHFFFAOYSA-N	353.331	-0.354	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)N1CCN2C(=O)NC[C@H]2C1	1323724488	PIPDZMXHUXOGKB-HNNXBMFYSA-N	359.430	-0.087	10	20	FBCD	
COCC(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2	1842691326	KXAWYNSMKKMZCV-UHFFFAOYSA-N	357.457	-0.304	10	20	FBCD	
COCCN1C(=O)/C(=C/N2C(=O)c3cccc(N)c3C2=O)C(=O)NC1=S	920978502	FUINGYPKNGNOND-VQHVLOKHSA-N	374.378	-0.362	10	20	FBCD	
CN(C)S(=O)(=O)N1CCN(C(=O)NCCc2ccc(N)cc2)CC1	851663449	ZQHDUMPEPBHGEL-UHFFFAOYSA-N	355.464	-0.055	10	20	FBCD	
CCOC(=O)CNC(=O)[C@@H]1COCCN1C(=O)c1cccc(O)c1O	854383092	VPFANZNMCACKGX-NSHDSACASA-N	352.343	-0.382	10	20	FBCD	
Cc1ccc(O)c(CNC(=O)Cn2c(=O)c3c(ncn3C)n(C)c2=O)c1	862761327	NXKOPLBDVMDLNA-UHFFFAOYSA-N	357.370	-0.236	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)CN3C(=O)C(=O)N(C)C3=O)cc2)CC1	893607935	NHEIDDXAWNGMNI-UHFFFAOYSA-N	373.413	-0.525	10	20	FBCD	
CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(N)cc1	1118281686	MDTSLUFMEBCCMK-AWEZNQCLSA-N	353.444	-0.037	10	20	FBCD	
CS(=O)(=O)NCCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	1324403719	PDRYNISCZSYDNE-UHFFFAOYSA-N	366.443	-0.656	10	20	FBCD	
NC(=O)C1CCN(c2ccc(CNS(=O)(=O)C3CNC3)cc2)CC1	1580089073	JKRXJNDDQFFXJU-UHFFFAOYSA-N	352.460	-0.221	10	20	FBCD	
C[C@@H](O)C(=O)N1[C@H]2CC[C@@H]1C[C@H](NC(=O)CN1C(=O)CSC1=S)C2	1801960892	ZTGBNRDCTDKOIV-CHWFTXMASA-N	371.484	-0.134	10	20	FBCD	
COC(=O)[C@@H]1COCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	271217729	BSCICBIWZSCNLJ-NSHDSACASA-N	358.372	-0.222	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CC(C(N)=O)=NO2)c1	276665847	UGIKZBBEAPYEJZ-QMMMGPOBSA-N	356.360	-0.876	10	20	FBCD	
Cc1cc(N(C)C)ccc1CNC(=O)C(=O)NC[C@@H]1CC[C@H](C(N)=O)O1	1324899436	QSXWBEPCUYUVCB-LSDHHAIUSA-N	362.430	-0.174	10	20	FBCD	
NC(=O)[C@@H]1CCCN(c2ccc(CNC(=O)CN3CCNCC3=O)cc2)C1	827469337	VDFNOULUFMPVFB-OAHLLOKOSA-N	373.457	-0.564	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1C[C@H]2C(=O)N(C)C(=O)[C@H]2C1	1118999200	WUGZYADJFJYVRZ-GASCZTMLSA-N	372.425	-0.216	10	20	FBCD	
CN1C(=O)CC[C@H]1C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843250470	CSVISOQOZJEPTI-LBPRGKRZSA-N	374.397	-0.069	10	20	FBCD	
CN(CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1ccccc1O	267353966	GMALUEHJSDFATP-GFCCVEGCSA-N	355.416	-0.163	10	20	FBCD	
CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)Cc1cc2c(cc1O)OCO2	144906384	PJOMEKQUSIDQEF-NSHDSACASA-N	356.400	-0.144	10	20	FBCD	
O=C1COc2cc([N+](=O)[O-])c(N3CCN4C(=O)C(=O)NC[C@@H]4C3)cc2N1	359864212	AXYNGRWCHKZMLR-MRVPVSSYSA-N	361.314	-0.927	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)N[C@H]3CCNC3)CC2)c(OC)c1	884677873	IFRPIANQOYRSLR-ZDUSSCGKSA-N	362.430	-0.170	10	20	FBCD	
O=C(Cn1cncn1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843249675	KNGIOJMWGJRXPN-UHFFFAOYSA-N	358.358	-0.399	10	20	FBCD	
Cn1nnn(CC(=O)NCc2ccc(N3CCOCC3)c(F)c2)c1=O	882230609	XHDYTHSXHBUIFR-UHFFFAOYSA-N	350.354	-0.731	10	20	FBCD	
CNC(=O)NCCNC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	1336838361	BYUXHUXIEDYYDR-MRXNPFEDSA-N	365.478	-0.303	10	20	FBCD	
CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)Cc1cc2c(cc1O)OCO2	144906175	PJOMEKQUSIDQEF-LLVKDONJSA-N	356.400	-0.144	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3C[C@@H](C(N)=O)O[C@H](C)C3)nc12	268487816	UHKFAGZAMJGPEU-SKDRFNHKSA-N	363.374	-0.314	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)N3CC[C@@H](N)C3)CC2)c(OC)c1	868385778	ZBDWAELHJZLWDT-CYBMUJFWSA-N	362.430	-0.088	10	20	FBCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)N[C@H]1CCS(=O)(=O)C1	1321060691	FYIIEFYVKZMDPS-MORRKMRCSA-N	355.368	-0.043	10	20	FBCD	
O=C(C[C@@H]1COCCN1)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	827394772	CTWAMWARQVLTMP-OAHLLOKOSA-N	367.471	-0.084	10	20	FBCD	
O=C(CNC(=O)C(=O)NCc1ccc(N2CCOCC2)cc1)NCC1CC1	1322142922	QCJPUMDXPOVDKZ-UHFFFAOYSA-N	374.441	-0.218	10	20	FBCD	
CO[C@@H](C)C(=O)N1CC[C@@]2(CN(C(=O)c3cc(O)nc(O)c3)CCO2)C1	1783988744	WXYJMHWONWCWPY-GTNSWQLSSA-N	365.386	-0.029	10	20	FBCD	
CCN1CCN(c2ccc(CNC(=O)[C@@H](N)CC(N)=O)cc2F)CC1	269591809	CQVUXAPTWYMEBF-AWEZNQCLSA-N	351.426	-0.214	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNC[C@@]3(O)CCOC3)CC2)cc1	1262570429	VVVZXUZLMPCGCV-MJGOQNOKSA-N	365.474	-0.081	10	20	FBCD	
O=C(NCc1ccc(N2CCOCC2)cc1)C(=O)N1C[C@H]2C[C@@]2(CO)C1	1323195576	VEGHCGMPFBFKQK-BEFAXECRSA-N	359.426	-0.020	10	20	FBCD	
CN1CCCc2cc(CNC(=O)C(=O)NC[C@H]3CC[C@H](C(N)=O)O3)ccc21	1329664690	IKJRGCAEDGOPEN-GDBMZVCRSA-N	374.441	-0.166	10	20	FBCD	
CN(Cc1ccccc1O)C(=O)C(=O)NC[C@H]1CCN(S(C)(=O)=O)C1	1343220047	ACSQYJUSGHJANC-GFCCVEGCSA-N	369.443	-0.252	10	20	FBCD	
CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N)cc2)CC1	841071293	MVYFENOUBIHYCR-HNNXBMFYSA-N	359.430	-0.028	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@@H]3COC[C@H]3O)CC2)cc1	843116716	LTJTZPOBCBQEQH-CGTJXYLNSA-N	351.447	-0.473	10	20	FBCD	
CN1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)CC1=O	846719697	AMVACYHLCFOFNZ-UHFFFAOYSA-N	360.414	-0.560	10	20	FBCD	
COC(=O)[C@@H]1CN(C(=O)C(=O)NCc2ccc(N(C)C)c(F)c2)CCO1	1322537699	PXKRIODEMHOETJ-AWEZNQCLSA-N	367.377	-0.092	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CN[C@H](C(=O)O)[C@@H](C)O)CC2)cc1	1607270172	IQNKEDJZDBVNFJ-KMFMINBZSA-N	367.446	-0.398	10	20	FBCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CNS(=O)(=O)c1cnn(C)c1	773749055	NYTUSUICDXNPDC-SNVBAGLBSA-N	368.415	-0.143	10	20	FBCD	
C[C@H](O)CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	275141186	OEGBHBLGPPOZCW-NSHDSACASA-N	357.432	-0.098	10	20	FBCD	
CS(=O)(=O)Nc1ccc(O)c(C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)c1	268458050	ZJWZQZGEHABODW-JOYOIKCWSA-N	357.388	-0.474	10	20	FBCD	
CN1CC[C@@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1=O	1321546574	FFTGAMNVGDNJEV-OAHLLOKOSA-N	360.414	-0.514	10	20	FBCD	
NC(=O)[C@@H]1CC[C@@H](CNC(=O)C(=O)NCc2ccc(N3CC=CC3)cc2)O1	1347080108	ISGQWJWBKIOHJS-HOTGVXAUSA-N	372.425	-0.172	10	20	FBCD	
CNS(=O)(=O)c1cc(NS(=O)(=O)N2CCOCC2)ccc1O	790406015	ABSNWDPCFNZKCS-UHFFFAOYSA-N	351.406	-0.711	10	20	FBCD	
CS(=O)(=O)N1CCN(CC(=O)NCCc2ccc(O)c(O)c2)CC1	767775893	SKOCDFCCVHBCKW-UHFFFAOYSA-N	357.432	-0.666	10	20	FBCD	
C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)cc2)CCN1	885210696	XVWBFYMNOZRUKY-OAHLLOKOSA-N	359.474	-0.125	10	20	FBCD	
O=C(NCCN1CCNC1=O)C(=O)NCc1ccc(N2CC=CC2)cc1	897808626	NCWQQZONTIURNX-UHFFFAOYSA-N	357.414	-0.180	10	20	FBCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN(C)S(C)(=O)=O	1320147000	FPEVCSSQKCVFIJ-NSHDSACASA-N	374.415	-0.420	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCN4C(=O)NC[C@H]4C3)nc12	267862134	YJFNRMYGOQNOCR-NSHDSACASA-N	360.374	-0.179	10	20	FBCD	
CCNC(=O)CN1C[C@@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1199271216	YKHQUKYMHMWPHT-CHWSQXEVSA-N	362.390	-0.240	10	20	FBCD	
C[C@@H](O)C(=O)N1CC2(CCCN2C(=O)CN2C(=O)CSC2=S)C1	1847055939	UYFFFAUIGHWULG-SECBINFHSA-N	357.457	-0.569	10	20	FBCD	
COC(=O)C[C@H](N)C(=O)NCc1ccc(N2CCC[C@@H](C(N)=O)C2)cc1	827469269	SPBAHESCSDMSTQ-HIFRSBDPSA-N	362.430	-0.105	10	20	FBCD	
CC(=O)C(=O)N1CCCC12CN(C(=O)CN1C(=O)CSC1=S)C2	1842612625	PKMZZVHSDKTQLZ-UHFFFAOYSA-N	355.441	-0.361	10	20	FBCD	
COc1ccc(O)c([C@H](C)NCC(=O)c2c(N)n(C)c(=O)n(C)c2=O)c1	775370987	YZNMWJBIAQQFMU-VIFPVBQESA-N	362.386	-0.086	10	20	FBCD	
N=C1NCCN1CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2	1842909216	ZEDWMDNDACQOLZ-UHFFFAOYSA-N	374.401	-0.850	10	20	FBCD	
CC(=O)N[C@H](C)C(=O)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843250932	DEXFUVRVBCDJAF-SNVBAGLBSA-N	362.386	-0.166	10	20	FBCD	
CNS(=O)(=O)Nc1ccc(NS(=O)(=O)N2CCOCC2)cc1	282016107	PWGPHXVQJDDJTG-UHFFFAOYSA-N	350.422	-0.448	10	20	FBCD	
CC(=O)NCC(=O)NCC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C	891254757	JAKKGQBHHGGPPY-INIZCTEOSA-N	363.462	-0.276	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CC(=O)N(C)C3)cc2)CC1	1350395675	JEHAOVBUDHEZMN-OAHLLOKOSA-N	373.457	-0.599	10	20	FBCD	
CCOC(=O)[C@H](Cc1ccc(O)c(O)c1)NC(=O)[C@H]1CNCCN1C	1578026037	OXBYCEMSTOPESB-QWHCGFSZSA-N	351.403	-0.408	10	20	FBCD	
CN(C)S(=O)(=O)N1CCN(Cc2cc3c(cc2O)OC[C@H]3O)CC1	768440748	GHBLTEUMWCXOEF-CQSZACIVSA-N	357.432	-0.258	10	20	FBCD	
O=C(CCn1ccnn1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843251198	GFWWOMUKDRCFQS-UHFFFAOYSA-N	372.385	-0.008	10	20	FBCD	
O=C1CN(C(=O)C(=O)NCc2ccc(N3CCOCC3)c(F)c2)CCN1	284061214	UDTQYJYEULMRMT-UHFFFAOYSA-N	364.377	-0.763	10	20	FBCD	
COCCONC(=O)C(=O)NCc1ccc(N2CCOCC2)c(F)c1	789812212	KSEJRWVBNIXSIB-UHFFFAOYSA-N	355.366	-0.027	10	20	FBCD	
CNS(=O)(=O)CCNC(=O)NCc1ccc(N2CCC(O)CC2)cc1	852270651	JEUNYZYDIXIMQN-UHFFFAOYSA-N	370.475	-0.004	10	20	FBCD	
CN(C)c1ccc(CN(C(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)C2CC2)cc1	297751804	HSAQYYPKOMKXSV-MRXNPFEDSA-N	374.441	-0.044	10	20	FBCD	
CN(C)C(=O)COC1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)C1	752821612	YAPKBVXNOAECQV-UHFFFAOYSA-N	371.415	-0.307	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)N(C)CCO)CC2)c(OC)c1	867276836	AQLMEAKURIMPDB-UHFFFAOYSA-N	351.403	-0.197	10	20	FBCD	
COc1ccc(N2CCN(C(=O)C(=O)N3CCNCC3)CC2)cc1F	1326472689	RCCFQZIIUKCBBO-UHFFFAOYSA-N	350.394	-0.085	10	20	FBCD	
CCC(=O)N1CCO[C@@]2(COCCN(C(=O)c3cc(O)nc(O)c3)C2)C1	1834811395	JAAKJQWKWQTFLQ-KRWDZBQOSA-N	365.386	-0.027	10	20	FBCD	
Cn1cc([C@H](O)CNC(=O)c2cc(NS(C)(=O)=O)ccc2O)cn1	743648723	OZTUCCCZFGYUEI-CYBMUJFWSA-N	354.388	-0.039	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN3CCN(C)C(=O)C3)CC2)cc1	754043148	QDCAUWUCVTWXTO-KRWDZBQOSA-N	362.474	-0.048	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)NCCN1C(=O)CNC1=O	1326645587	WLVUKHBPPPFXFM-UHFFFAOYSA-N	361.402	-0.621	10	20	FBCD	
O=C(CCn1cncn1)N1CC2(CCCN2C(=O)c2cc(O)nc(O)c2)C1	1843251337	VBWDSFNWCIPGSR-UHFFFAOYSA-N	372.385	-0.008	10	20	FBCD	
COc1ccc(N2CCC(NC(=O)C(=O)N3CCNC(=O)C3)CC2)cc1	804315460	LPTQXDUOADDYJO-UHFFFAOYSA-N	360.414	-0.261	10	20	FBCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CN3CCNCC3=O)cc2)C1	827469336	VDFNOULUFMPVFB-HNNXBMFYSA-N	373.457	-0.564	10	20	FBCD	
O=C(COC(=O)/C=C\c1ccc(O)c(O)c1)N[C@@H]1CCS(=O)(=O)C1	1321060688	FYIIEFYVKZMDPS-CJHWANRJSA-N	355.368	-0.043	10	20	FBCD	
CNC(=O)CN1CCC(NC(=O)C(=O)N(C)Cc2ccccc2O)CC1	1340517589	DEADUMSXMOPXHX-UHFFFAOYSA-N	362.430	-0.323	10	20	FBCD	
O=C(O)CN(Cc1cc(Cl)ccc1O)C(=O)CN1CCNCC1=O	1602057622	NYAUYFSUEOWQNE-UHFFFAOYSA-N	355.778	-0.109	10	20	FBCD	
O=[N+]([O-])c1ccc(O)c(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1	265205699	CDEFYKNOPMFQDJ-KBPBESRZSA-N	371.415	-0.112	10	20	FBCD	
COC(=O)[C@@H](CO)NC[C@@H](O)CN1CCN(c2ccc(OC)cc2)CC1	843066035	RIROHLZCGJGDEH-NVXWUHKLSA-N	367.446	-0.698	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N2CCN(C)C(=O)C2)cc1	846289530	HTJSZHVYWJNVGV-UHFFFAOYSA-N	362.430	-0.110	10	20	FBCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1CCN2C(=O)NC[C@@H]2C1	1261089656	UAOQQCMGGBCYNC-MRXNPFEDSA-N	369.425	-0.085	10	20	FBCD	
COCCN1C(=O)/C(=C/Nc2cccc3c2C(=O)NC3=O)C(=O)NC1=S	818213199	GCNJVTCLVZILTO-VQHVLOKHSA-N	374.378	-0.244	10	20	FBCD	
COC[C@H](O)CN1C[C@H](O)[C@H](NC(=O)c2ccc(N=NC(N)=O)cc2)C1	1221128519	QHYKXUQNDZUOGA-MCIONIFRSA-N	365.390	-0.369	10	20	FBCD	
Nc1ccc(CC(=O)N2CCN([C@H]3CS(=O)(=O)C[C@@H]3O)CC2)cc1	1328205067	KFFIDFCSYMEITQ-GJZGRUSLSA-N	353.444	-0.887	10	20	FBCD	
C[C@H](Cc1ccc(O)c(O)c1)NC(=O)CN1CCN(S(C)(=O)=O)CC1	274905760	HKOAQUSZCDWJAM-GFCCVEGCSA-N	371.459	-0.278	10	20	FBCD	
CN(C)C(=O)CN1CCN(C(=O)C(=O)N(C)Cc2ccccc2O)CC1	1325556522	IZKNZGLKOHVEID-UHFFFAOYSA-N	362.430	-0.417	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NCc3ncn(C)n3)cc2)CC1	1350407708	ADIUVCSEJFJLLB-UHFFFAOYSA-N	371.445	-0.501	10	20	FBCD	
CCN1CCN(c2ccc(CNC(=O)CNC(=O)CN)cc2F)CC1	274456152	UFGUYJYXYXRLKE-UHFFFAOYSA-N	351.426	-0.341	10	20	FBCD	
COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	275536610	KRNQVFQMIILAMD-STQMWFEESA-N	372.399	-0.098	10	20	FBCD	
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCOC3)cc2)C1	793734099	PNZGVJUEMYZPGV-LSDHHAIUSA-N	374.441	-0.090	10	20	FBCD	
CS(=O)(=O)N1CCN(Cc2cc(O)n3ncc(C(=O)O)c3n2)CC1	1118251178	KGXGOQTXTAMEFU-UHFFFAOYSA-N	355.376	-0.790	10	20	FBCD	
Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c(O)c1O	272745031	IYVLRHDBCNZROI-SNVBAGLBSA-N	356.400	-0.171	10	20	FBCD	
COC[C@@](C)(O)C(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	754992335	YKVVSLPXQPMFLZ-MRXNPFEDSA-N	356.444	-0.065	10	20	FBCD	
CCOC(=O)[C@@](C)(O)CNC(=O)c1cc(NS(C)(=O)=O)ccc1O	763279948	OBECYSKQADVSAR-AWEZNQCLSA-N	360.388	-0.192	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNCC(=O)N(C)C)CC2)cc1	818940873	IQTKNRSZCGWYSJ-INIZCTEOSA-N	350.463	-0.144	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)NC[C@@H]2CNCCO2)cc1	846343699	OBKSIHNNGDLICB-INIZCTEOSA-N	364.446	-0.306	10	20	FBCD	
O=C(NCc1ccc(O)c(O)c1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1	1325022795	HSDCFWKRINAGMG-VXGBXAGGSA-N	368.411	-0.250	10	20	FBCD	
COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)c1cc(NS(C)(=O)=O)ccc1O	275536607	KRNQVFQMIILAMD-QWHCGFSZSA-N	372.399	-0.098	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN[C@@H]3COCC[C@H]3O)CC2)cc1	872224263	BDMIRVNYODPFHJ-BHIYHBOVSA-N	365.474	-0.083	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C(=O)N1CCN2C(=O)NC(=O)[C@H]2C1	1325557421	UGHFYMOAUUSJPG-CQSZACIVSA-N	373.413	-0.526	10	20	FBCD	
CNC(=O)CCNC[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	1338450114	RZRULNXMGPOBKL-INIZCTEOSA-N	350.463	-0.096	10	20	FBCD	
COc1ccc(O)c([C@H](C)NC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)c1	781974107	ZTKRAKJUJNHIPZ-BDAKNGLRSA-N	359.404	-0.629	10	20	FBCD	
CC(CO)(CO)NC(=O)NCc1ccc(N2CCS(=O)(=O)CC2)cc1	820986827	VFCCJASCFSDNGH-UHFFFAOYSA-N	371.459	-0.536	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CN3CCO[C@H](CN)C3)CC2)cc1	923332423	IXUNPCVBPLNERM-PKOBYXMFSA-N	364.490	-0.162	10	20	FBCD	
COc1cc(C(=O)NC2CN(C(=O)[C@H]3OCCO[C@H]3C)C2)cc(OC)n1	996369705	ZKDCOFOOKVRQBP-BONVTDFDSA-N	365.386	-0.157	10	20	FBCD	
CNC(=O)CN(C)C[C@H](O)CN1CCN(c2ccc(OC)cc2)CC1	779220467	VZORHRXKLSKBRR-INIZCTEOSA-N	350.463	-0.144	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N2CCNC(=O)[C@H]2C)cc1	846250518	MZURUHRNEMZMPY-CYBMUJFWSA-N	362.430	-0.063	10	20	FBCD	
Cn1c(=O)c2c(ncn2CCOC(=O)c2cccc(O)c2O)n(C)c1=O	776282518	SLPPDEBINLJGDX-UHFFFAOYSA-N	360.326	-0.298	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNCC3(CO)COC3)CC2)cc1	843075352	ICOCCEOJMNWOGQ-QGZVFWFLSA-N	365.474	-0.223	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)CNC(=O)CNC(C)=O)cc1	846446455	LKJLMGXMLUXLCA-UHFFFAOYSA-N	350.419	-0.158	10	20	FBCD	
CCCN(Cc1ccccc1O)C(=O)C(=O)NCCS(=O)(=O)NC	1322933985	FUILALVWMFSMQK-UHFFFAOYSA-N	357.432	-0.204	10	20	FBCD	
CN1CCC[C@H](NC(=O)C(=O)NCc2ccc(N3CCOCC3)cc2)C1=O	1349054978	HQAUWVXURIYJSA-INIZCTEOSA-N	374.441	-0.124	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN2C(=O)C(=O)NC[C@H]2C1	268976637	CAAKRPHLXKIDMV-INIZCTEOSA-N	373.457	-0.646	10	20	FBCD	
C[C@H]1CNCCN1C(=O)C(=O)C(=O)C(=O)N1CC[C@@H](c2cccnc2)C1	843057964	JCGUBLLUNRQCMY-GXTWGEPZSA-N	358.398	-0.644	10	20	FBCD	
CCOC(=O)[C@H](N)C(=O)NCCN1CCN(c2ccc(OC)cc2)CC1	852872867	MFUDRXPYBTZVGG-MRXNPFEDSA-N	364.446	-0.176	10	20	FBCD	
NC(=O)[C@H]1CC[C@H](CNC(=O)C(=O)NCCCSc2nccs2)O1	1323483499	YVHISSKJJPTPOA-NXEZZACHSA-N	372.472	-0.109	10	20	FBCD	
CN1CCN(CCN(CC(=O)O)Cc2cc3c(cc2O)OC[C@@H]3O)CC1	1610136464	JFPRJTQGBVGVSD-INIZCTEOSA-N	365.430	-0.048	10	20	FBCD	
COc1ccc(-n2nnnc2CN2C[C@H](O)[C@H](NC(=O)C3CC3)C2)cc1	1083301096	VLWGZHHEMPLSSN-CABCVRRESA-N	358.402	-0.258	10	20	FBCD	
C[C@H]1CN(C(=O)C(=O)N(C)Cc2ccc(N3CCOCC3)cc2)CC(=O)N1	297797634	KWWGWLPDJMVIKW-AWEZNQCLSA-N	374.441	-0.172	10	20	FBCD	
CNC(=O)[C@@H]1CN(C(=O)C(=O)N[C@H](C)c2ccc(N(C)C)cc2)CCO1	807677404	OLGARIPKZQSWLM-DOMZBBRYSA-N	362.430	-0.097	10	20	FBCD	
COc1ccc(N(C)CCN(C)C(=O)C(=O)N2C[C@H](O)[C@@H](CO)C2)cc1	846276436	RBOAMSYPPBMYBW-CJNGLKHVSA-N	365.430	-0.599	10	20	FBCD	
C[C@H](NC=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H](C1)N2C(=O)c1cc(O)nc(O)c1	1796604481	LDPDMYXUIZHPTC-SYEHKZFSSA-N	362.386	-0.121	10	20	FBCD	
C[C@@H](O)CN1CCN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CC1	275452641	OEGBHBLGPPOZCW-LLVKDONJSA-N	357.432	-0.098	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N3CCCNC(=O)C3)cc2)CC1	1334665238	BMKNTGISCAQONS-UHFFFAOYSA-N	373.457	-0.597	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)Cn3c(=O)ccn(C)c3=O)CC2)cc1	758198064	RAOXSAVYBBCISA-INIZCTEOSA-N	374.441	-0.261	10	20	FBCD	
O=S(=O)(NCc1ccc(N2CCOCC2)c(F)c1)N1CCNCC1	923592072	JCIRYCIAPOIWLF-UHFFFAOYSA-N	358.439	-0.098	10	20	FBCD	
COc1ccc(N2CCN(C[C@@H](O)CNCc3nnnn3C)CC2)cc1	1120598562	DFXLSQZKUNORHQ-HNNXBMFYSA-N	361.450	-0.509	10	20	FBCD	
CCOC(=O)C1=S=C(NC(=O)C(=O)Nc2ccnn2CCO)C=C1C	570694599	QGZMCVBNGXNUKE-UHFFFAOYSA-N	366.399	-0.511	10	20	FBCD	
O=C(O)/C=C\c1ccc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)c([N+](=O)[O-])c1	833194994	BWAASQZSMPJGKK-CJHWANRJSA-N	360.326	-0.160	10	20	FBCD	
Cn1ncc2c(O)nc(NC(=O)C3=S=C(S(C)(=O)=O)C=C3)nc21	1587241798	UJOABICYGJAHEL-UHFFFAOYSA-N	353.385	-0.343	10	20	FBCD	
CN(C)c1ccc2c(c1)OCCN2CC(=O)c1c(N)n(C)c(=O)n(C)c1=O	266871646	QNPBPGFOGKPTIQ-UHFFFAOYSA-N	373.413	-0.186	10	20	FBCD	
CN(CC(=O)NCc1ccc(N2CCOCC2)c(F)c1)[C@@H]1COC[C@H]1O	285837728	HKWCXEQXPKORRR-IAGOWNOFSA-N	367.421	-0.030	10	20	FBCD	
O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)[C@@H]2C[C@H](O)CN2)C1	1845065590	SPNSAQCYPJFSCA-RYUDHWBXSA-N	362.386	-0.967	10	20	FBCD	
O=C(c1cc(O)nc(O)c1)N1CC2(CCCN2C(=O)CCn2ccnn2)C1	1846622624	VEMOGYZMAIGUFS-UHFFFAOYSA-N	372.385	-0.008	10	20	FBCD	
O=[N+]([O-])c1ccc(O)c(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1	265205702	CDEFYKNOPMFQDJ-KGLIPLIRSA-N	371.415	-0.112	10	20	FBCD	
COc1ccc(N2CCN(C[C@H](O)CNC[C@@H](O)CN(C)C)CC2)cc1	843061892	KPSVFDAFGCGJGY-QZTJIDSGSA-N	366.506	-0.310	10	20	FBCD	
CN(Cc1ccc(N(C)C)cc1)C(=O)CN1CCN(C(=O)C(=O)O)CC1	844242120	LPCCTEROGPFAOV-UHFFFAOYSA-N	362.430	-0.060	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)N[C@@H]3CCCNC3)cc2)CC1	884674031	LJMCIXGULSALLW-MRXNPFEDSA-N	359.474	-0.077	10	20	FBCD	
CCOC(=O)CN(Cc1ccccc1O)C(=O)CNC(=O)CNC(C)=O	819695867	BWCZUYFOYYXIII-UHFFFAOYSA-N	365.386	-0.464	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(COC(=O)CS(C)(=O)=O)nc12	920593631	TXRXJTJGPHAJIR-UHFFFAOYSA-N	357.344	-0.301	10	20	FBCD	
C[S@@](=O)CCNC(=O)C(=O)NCc1ccc(N2CCC(O)CC2)cc1	1327966531	DFNLZBYEBRMXIW-RUZDIDTESA-N	367.471	-0.241	10	20	FBCD	
COc1ccc(N2CCN(C(=O)CN3CCN(CCO)CC3)CC2)cc1	22862011	UGPXGUURIFLJHJ-UHFFFAOYSA-N	362.474	-0.046	10	20	FBCD	
CNC(=O)CCN(C)C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1	284033245	LSBQPPOIRBWHPD-UHFFFAOYSA-N	362.430	-0.266	10	20	FBCD	
CS(=O)(=O)NCCCNC(=O)c1cc(NS(C)(=O)=O)ccc1O	299108892	XEFNHIQPQQSZFA-UHFFFAOYSA-N	365.433	-0.567	10	20	FBCD	
CNS(=O)(=O)CCNC(=O)C(=O)NCc1ccc(N2CC=CC2)cc1	1323300728	UWLJDDZXSCOTCW-UHFFFAOYSA-N	366.443	-0.656	10	20	FBCD	
CN(C(=O)/C=C\c1cn(C)c(=O)n(C)c1=O)c1cccc(-c2nn[nH]n2)c1	1590978553	SVJBBMWKXPQWMP-FPLPWBNLSA-N	367.369	-0.060	10	20	FBCD	
C[C@@H]1CN(C(=O)C(=O)C(=O)C(=O)N2CC[C@@H](c3cccnc3)C2)[C@H](C)CN1	843058210	OTKXORPQLLYLNN-UMVBOHGHSA-N	372.425	-0.256	10	20	FBCD	
CN1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H]3CCCN3)cc2)CC1	884687728	GQRARLQOFQPKKN-INIZCTEOSA-N	359.474	-0.077	10	20	FBCD	
CN1C(=O)CC[C@H]1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2	1845237921	VGMCZJAZZISHID-LBPRGKRZSA-N	374.397	-0.069	10	20	FBCD	
CN(C(=O)C(=O)NCc1ccc(N2CCOCC2)cc1)[C@H]1CCNC1=O	1257109124	AXQHXCCPZHXPFW-HNNXBMFYSA-N	360.414	-0.514	10	20	FBCD	
CS(=O)(=O)N1CCN(CCNC(=O)/C=C/c2ccc(O)c(O)c2)CC1	779496783	BJLFMGGDVHGYLY-HWKANZROSA-N	369.443	-0.196	10	20	FBCD	
CCOC(=O)c1cnn2c(O)cc(CN3CCOC[C@@H]3C(=O)O)nc12	829890397	QQTCAIHEKXWYER-LLVKDONJSA-N	350.331	-0.103	10	20	FBCD	
NC(=O)NC(=O)CCNCc1ccc(N2CCS(=O)(=O)CC2)cc1	849326799	LAYFTCDYXFJLJL-UHFFFAOYSA-N	354.432	-0.404	10	20	FBCD	
CNS(=O)(=O)C[C@@H]1CCCN1C(=O)C(=O)N(C)Cc1ccccc1O	1344924809	JEIRLJMLGKNLFZ-ZDUSSCGKSA-N	369.443	-0.109	10	20	FBCD	
O=C(NCCN1CCCC1=O)C(=O)NCc1ccc(N2CCOCC2)cc1	846721333	LOKKMIDKQYHIBJ-UHFFFAOYSA-N	374.441	-0.122	10	20	FBCD	
Cn1nncc1C(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2	1842133293	FOTLCLKEDMIOGX-UHFFFAOYSA-N	358.358	-0.248	10	20	FBCD	
O=C1CCCN1CC(=O)N1CCCC12CN(C(=O)c1cc(O)nc(O)c1)C2	1842830586	JXRXMMOJMWTYMT-UHFFFAOYSA-N	374.397	-0.068	10	20	FBCD	
Nc1ccc(CCNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1	832653263	WJBOUKZQRFMDCQ-DZGCQCFKSA-N	365.455	-0.037	10	20	FBCD	
COc1ccc(N2CCN(S(=O)(=O)CCNC(=O)CCN)CC2)cc1	851643286	SJEYMJITKCHSRY-UHFFFAOYSA-N	370.475	-0.388	10	20	FBCD	
CC(=O)NCC(=O)OCC(=O)NCc1ccc(N2CCOCC2)c(F)c1	918858630	FKMDHGSDNYKHKW-UHFFFAOYSA-N	367.377	-0.042	10	20	FBCD	
CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1ccc(N)cc1	1118281690	MDTSLUFMEBCCMK-CQSZACIVSA-N	353.444	-0.037	10	20	FBCD	
CNC(=O)[C@H]1CN(C(=O)c2cc(NS(C)(=O)=O)ccc2O)CCO1	1342118813	NUEJVBPCTHPNLW-GFCCVEGCSA-N	357.388	-0.649	10	20	FBCD	
NC(=O)N[C@@H](CO)C(=O)NCc1ccc(N2CCC(O)CC2)c(F)c1	1319631730	RQPIRENPMWQIOK-ZDUSSCGKSA-N	354.382	-0.568	10	20	FBCD	
O=C(NCc1ccc(N2CC=CC2)cc1)C(=O)N1C[C@H](O)C[C@@H](C(=O)O)C1	1608468201	WDEJGVYCHKFMOG-GDBMZVCRSA-N	373.409	-0.027	10	20	FBCD